(1-benzylpyrrolidin-3-yl)methanol;hydrochloride

C12H18ClNO — CID 75485238

IUPAC(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO.ClH/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2;1H
InChIKeyOLSUXPXBGUSOQH-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.92
Rot. Bonds3

About (1-benzylpyrrolidin-3-yl)methanol;hydrochloride

(1-benzylpyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 75485238) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
PubChem CID75485238
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO.ClH/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2;1H
InChIKeyOLSUXPXBGUSOQH-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-benzylpyrrolidin-3-yl)methanol;hydrochloride 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

(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 51596198
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (1-benzylpyrrolidin-3-yl)methanol;hydrochloride (CID 75485238) is (1-benzylpyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)methanol;hydrochloride is Cl.OCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is OLSUXPXBGUSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2;1H.
What are the key properties of (1-benzylpyrrolidin-3-yl)methanol;hydrochloride?
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 75485238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).