[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C27H31NO2 — CID 14851349

IUPAC[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO2/c1-30-26-14-12-22(13-15-26)16-19-28-20-17-25(18-21-28)27(29,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,29H,16-21H2,1H3
InChIKeyIZUYUGMINJJKCN-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.89
Rot. Bonds7

About [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 14851349) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID14851349
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO2/c1-30-26-14-12-22(13-15-26)16-19-28-20-17-25(18-21-28)27(29,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,29H,16-21H2,1H3
InChIKeyIZUYUGMINJJKCN-UHFFFAOYSA-N
XLogP4.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 14851349) is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is COc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is IZUYUGMINJJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-30-26-14-12-22(13-15-26)16-19-28-20-17-25(18-21-28)27(29,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,29H,16-21H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 401.55 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 14851349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).