2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine

C29H28N2O — CID 170946352

IUPAC2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine
SMILESc1ccc(C(Oc2ncccc2-c2ccc(C3CCNCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O/c1-3-8-25(9-4-1)28(26-10-5-2-6-11-26)32-29-27(12-7-19-31-29)24-15-13-22(14-16-24)23-17-20-30-21-18-23/h1-16,19,23,28,30H,17-18,20-21H2
InChIKeyGFUYPGTXLDLOAV-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.38
Rot. Bonds6

About 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine

2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine (PubChem CID 170946352) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine
PubChem CID170946352
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine
SMILESc1ccc(C(Oc2ncccc2-c2ccc(C3CCNCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O/c1-3-8-25(9-4-1)28(26-10-5-2-6-11-26)32-29-27(12-7-19-31-29)24-15-13-22(14-16-24)23-17-20-30-21-18-23/h1-16,19,23,28,30H,17-18,20-21H2
InChIKeyGFUYPGTXLDLOAV-UHFFFAOYSA-N
XLogP6.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine
CID 175802766
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
methanamine;4-phenylpiperidine
CID 143444696
N-(4-piperidin-4-ylphenyl)quinolin-4-amine
CID 171544473
4-(4-piperidin-4-ylphenyl)-1H-pyrazol-5-amine
CID 117358172
4-phenylazocane
CID 19847318
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
2-(3-piperidin-4-ylphenyl)pyrimidine
CID 91370651
ethane;4-(4-methylphenyl)piperidine
CID 145467036
[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate
CID 56807257
4-(4-pyren-1-ylphenyl)piperidine
CID 146643181

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine?
The IUPAC name of 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine (CID 170946352) is 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine.
What is the SMILES notation for 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine?
The canonical SMILES for 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine is c1ccc(C(Oc2ncccc2-c2ccc(C3CCNCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine?
The InChIKey is GFUYPGTXLDLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-3-8-25(9-4-1)28(26-10-5-2-6-11-26)32-29-27(12-7-19-31-29)24-15-13-22(14-16-24)23-17-20-30-21-18-23/h1-16,19,23,28,30H,17-18,20-21H2.
What are the key properties of 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine?
2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine has a molecular weight of 420.56 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-3-(4-piperidin-4-ylphenyl)pyridine is sourced from PubChem (CID 170946352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).