[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

C23H31NO2 — CID 42558104

IUPAC[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31NO2/c1-26-22-11-9-21(10-12-22)18-24-16-14-23(19-25,15-17-24)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,25H,5,8,13-19H2,1H3
InChIKeyXZGQGZGTWIZYIQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.29
Rot. Bonds8

About [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 42558104) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID42558104
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31NO2/c1-26-22-11-9-21(10-12-22)18-24-16-14-23(19-25,15-17-24)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,25H,5,8,13-19H2,1H3
InChIKeyXZGQGZGTWIZYIQ-UHFFFAOYSA-N
XLogP4.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
CID 42288726
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 67119971
[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
CID 26329256
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]propan-1-ol
CID 22470824
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 42513645

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 42558104) is [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is COc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is XZGQGZGTWIZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-26-22-11-9-21(10-12-22)18-24-16-14-23(19-25,15-17-24)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,25H,5,8,13-19H2,1H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 353.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 42558104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).