1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol

C12H17NO2 — CID 19704375

IUPAC1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
SMILESOCC1(O)CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-10-12(15)7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,14-15H,4,7-10H2
InChIKeyXTTWJUVIBZAQMQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.96
Rot. Bonds3

About 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol

1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol (PubChem CID 19704375) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
PubChem CID19704375
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
SMILESOCC1(O)CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-10-12(15)7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,14-15H,4,7-10H2
InChIKeyXTTWJUVIBZAQMQ-UHFFFAOYSA-N
XLogP0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
1,2-dibenzyl-2-ethenylpyrrolidine
CID 4304758
1-benzyl-2,2-bis(2-phenylethynyl)pyrrolidine
CID 164666404
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol?
The IUPAC name of 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol (CID 19704375) is 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol.
What is the SMILES notation for 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol?
The canonical SMILES for 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol is OCC1(O)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol?
The InChIKey is XTTWJUVIBZAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-10-12(15)7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,14-15H,4,7-10H2.
What are the key properties of 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol?
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol has a molecular weight of 207.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol is sourced from PubChem (CID 19704375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).