1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine

C31H31NO — CID 10388166

IUPAC1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine
SMILESc1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H31NO/c1-5-13-26(14-6-1)25-33-31(29-19-11-4-12-20-29)21-23-32(24-22-31)30(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-20,30H,21-25H2
InChIKeyKSNUQMXXRSKFOM-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.98
Rot. Bonds7

About 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine

1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine (PubChem CID 10388166) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine
PubChem CID10388166
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine
SMILESc1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H31NO/c1-5-13-26(14-6-1)25-33-31(29-19-11-4-12-20-29)21-23-32(24-22-31)30(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-20,30H,21-25H2
InChIKeyKSNUQMXXRSKFOM-UHFFFAOYSA-N
XLogP6.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine 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-benzhydryl-4-phenyl-4-phenylmethoxypiperidine?
The IUPAC name of 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine (CID 10388166) is 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine.
What is the SMILES notation for 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine?
The canonical SMILES for 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine is c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine?
The InChIKey is KSNUQMXXRSKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-5-13-26(14-6-1)25-33-31(29-19-11-4-12-20-29)21-23-32(24-22-31)30(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-20,30H,21-25H2.
What are the key properties of 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine?
1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine has a molecular weight of 433.60 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-phenyl-4-phenylmethoxypiperidine is sourced from PubChem (CID 10388166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).