(1-benzyl-4-methylpyrrolidin-3-yl)methanol

C13H19NO — CID 18713552

IUPAC(1-benzyl-4-methylpyrrolidin-3-yl)methanol
SMILESCC1CN(Cc2ccccc2)CC1CO
InChIInChI=1S/C13H19NO/c1-11-7-14(9-13(11)10-15)8-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyMQIQTRXCBIVWTN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.75
Rot. Bonds3

About (1-benzyl-4-methylpyrrolidin-3-yl)methanol

(1-benzyl-4-methylpyrrolidin-3-yl)methanol (PubChem CID 18713552) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1-benzyl-4-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-4-methylpyrrolidin-3-yl)methanol
PubChem CID18713552
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1-benzyl-4-methylpyrrolidin-3-yl)methanol
SMILESCC1CN(Cc2ccccc2)CC1CO
InChIInChI=1S/C13H19NO/c1-11-7-14(9-13(11)10-15)8-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyMQIQTRXCBIVWTN-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-benzyl-4-methylpyrrolidin-3-yl)methanol 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-3-methylpiperidin-4-yl)methanol
CID 130927897
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
N-[(3R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]formamide
CID 130204042
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)methanol (CID 18713552) is (1-benzyl-4-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-benzyl-4-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-benzyl-4-methylpyrrolidin-3-yl)methanol is CC1CN(Cc2ccccc2)CC1CO.
What is the InChIKey of (1-benzyl-4-methylpyrrolidin-3-yl)methanol?
The InChIKey is MQIQTRXCBIVWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-14(9-13(11)10-15)8-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of (1-benzyl-4-methylpyrrolidin-3-yl)methanol?
(1-benzyl-4-methylpyrrolidin-3-yl)methanol has a molecular weight of 205.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 18713552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).