diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol

C31H32N2O — CID 118322594

IUPACdiphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C31H32N2O/c34-31(28-9-3-1-4-10-28,29-11-5-2-6-12-29)30-18-22-33(23-19-30)21-17-25-13-15-26(16-14-25)27-8-7-20-32-24-27/h1-16,20,24,30,34H,17-19,21-23H2
InChIKeyYHHLDTOYVSACOH-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.94
Rot. Bonds7

About diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol

diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 118322594) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol
PubChem CID118322594
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Namediphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C31H32N2O/c34-31(28-9-3-1-4-10-28,29-11-5-2-6-12-29)30-18-22-33(23-19-30)21-17-25-13-15-26(16-14-25)27-8-7-20-32-24-27/h1-16,20,24,30,34H,17-19,21-23H2
InChIKeyYHHLDTOYVSACOH-UHFFFAOYSA-N
XLogP5.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol (CID 118322594) is diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is YHHLDTOYVSACOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O/c34-31(28-9-3-1-4-10-28,29-11-5-2-6-12-29)30-18-22-33(23-19-30)21-17-25-13-15-26(16-14-25)27-8-7-20-32-24-27/h1-16,20,24,30,34H,17-19,21-23H2.
What are the key properties of diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol?
diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 448.61 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[2-(4-pyridin-3-ylphenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 118322594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).