[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol

C20H25NO2 — CID 168870314

IUPAC[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
SMILESCOc1ccc(C2C(CO)CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20,22H,5,8,13-15H2,1H3
InChIKeyUPCKJQRSRSDINI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.64
Rot. Bonds5

About [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol

[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol (PubChem CID 168870314) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
PubChem CID168870314
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
SMILESCOc1ccc(C2C(CO)CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20,22H,5,8,13-15H2,1H3
InChIKeyUPCKJQRSRSDINI-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5656
(S)-Venlafaxine
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Venlafaxine, (R)-
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4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CID 26649
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
1-[[4-(1-Propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-ol
CID 9880698
N-ethyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethanamine
CID 9944320
[1-[[4-(1-Propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-yl]methanol
CID 9946194
1-((2-Methoxyphenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
CID 10109899

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol?
The IUPAC name of [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol (CID 168870314) is [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol is COc1ccc(C2C(CO)CCCN2Cc2ccccc2)cc1.
What is the InChIKey of [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol?
The InChIKey is UPCKJQRSRSDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20,22H,5,8,13-15H2,1H3.
What are the key properties of [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol?
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 168870314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).