1-(Pyrrolidin-2-yl)propan-2-ol

Details

• Internal ID: 07d596d2-95f1-4474-8851-8ee7cbf8154e
• Taxonomy: Organoheterocyclic compounds > Pyrrolidines
• IUPAC Name: 1-pyrrolidin-2-ylpropan-2-ol
• SMILES (Canonical): CC(CC1CCCN1)O
• SMILES (Isomeric): CC(CC1CCCN1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)5-7-3-2-4-8-7/h6-9H,2-5H2,1H3
• InChI Key: YNOPDCKXNICFQS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₅NO
• Molecular Weight: 129.20 g/mol
• Exact Mass: 129.115364102 g/mol
• Topological Polar Surface Area (TPSA): 32.30 Ų
• XlogP: 0.50

Synonyms

• 45715-51-3
• 1-pyrrolidin-2-ylpropan-2-ol
• SCHEMBL3955961
• AKOS006351715
• CS-0223629
• EN300-116085
• Z1203731942

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.01%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.04%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.34%	97.09%
CHEMBL2581	P07339	Cathepsin D	91.90%	98.95%
CHEMBL213	P08588	Beta-1 adrenergic receptor	89.83%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.37%	94.45%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	86.90%	95.58%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.54%	93.03%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.00%	85.14%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	84.05%	95.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.38%	96.47%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.86%	93.56%

Plants that contains it

• Sedum alpestre

Cross-Links

• PubChem: 12313545
• LOTUS: LTS0146773
• wikiData: Q104375991