[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol

C14H21NO2 — CID 130151390

IUPAC[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(Cc2ccccc2)CC1CO
InChIInChI=1S/C14H21NO2/c1-14(11-17)10-15(8-13(14)9-16)7-12-5-3-2-4-6-12/h2-6,13,16-17H,7-11H2,1H3
InChIKeyWPVVPJDSTFIABW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.11
Rot. Bonds4

About [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol

[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol (PubChem CID 130151390) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
PubChem CID130151390
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CN(Cc2ccccc2)CC1CO
InChIInChI=1S/C14H21NO2/c1-14(11-17)10-15(8-13(14)9-16)7-12-5-3-2-4-6-12/h2-6,13,16-17H,7-11H2,1H3
InChIKeyWPVVPJDSTFIABW-UHFFFAOYSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-benzyl-4-(hydroxymethyl)-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

[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
tert-butyl (5R)-7-benzyl-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 155903866
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
CID 167458365
[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol (CID 130151390) is [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol is CC1(CO)CN(Cc2ccccc2)CC1CO.
What is the InChIKey of [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is WPVVPJDSTFIABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(11-17)10-15(8-13(14)9-16)7-12-5-3-2-4-6-12/h2-6,13,16-17H,7-11H2,1H3.
What are the key properties of [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol?
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130151390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).