[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol

C32H34N2O3 — CID 166113291

IUPAC[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3
InChIKeySQUBISDWOONPMQ-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.42
Rot. Bonds9

About [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol

[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol (PubChem CID 166113291) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
PubChem CID166113291
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3
InChIKeySQUBISDWOONPMQ-UHFFFAOYSA-N
XLogP6.42
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol (CID 166113291) is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol is Cc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The InChIKey is SQUBISDWOONPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3.
What are the key properties of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol has a molecular weight of 494.64 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 166113291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).