1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol

C25H34N2O — CID 173161826

IUPAC1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CN(Cc2ccccc2)CC1CN1CCCCC1Cc1ccccc1
InChIInChI=1S/C25H34N2O/c1-25(28)20-26(17-22-12-6-3-7-13-22)18-23(25)19-27-15-9-8-14-24(27)16-21-10-4-2-5-11-21/h2-7,10-13,23-24,28H,8-9,14-20H2,1H3
InChIKeyWCYAFIXABJUUHN-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.97
Rot. Bonds6

About 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol

1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 173161826) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID173161826
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CN(Cc2ccccc2)CC1CN1CCCCC1Cc1ccccc1
InChIInChI=1S/C25H34N2O/c1-25(28)20-26(17-22-12-6-3-7-13-22)18-23(25)19-27-15-9-8-14-24(27)16-21-10-4-2-5-11-21/h2-7,10-13,23-24,28H,8-9,14-20H2,1H3
InChIKeyWCYAFIXABJUUHN-UHFFFAOYSA-N
XLogP3.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
4-[[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]methyl]benzoic acid
CID 56758982
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol (CID 173161826) is 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CN(Cc2ccccc2)CC1CN1CCCCC1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is WCYAFIXABJUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-25(28)20-26(17-22-12-6-3-7-13-22)18-23(25)19-27-15-9-8-14-24(27)16-21-10-4-2-5-11-21/h2-7,10-13,23-24,28H,8-9,14-20H2,1H3.
What are the key properties of 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol?
1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 378.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 173161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).