1-benzhydryl-4-methoxy-4-phenylpiperidine

C25H27NO — CID 10043898

IUPAC1-benzhydryl-4-methoxy-4-phenylpiperidine
SMILESCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27NO/c1-27-25(23-15-9-4-10-16-23)17-19-26(20-18-25)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3
InChIKeyULOWZIQCEGBTDH-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.41
Rot. Bonds5

About 1-benzhydryl-4-methoxy-4-phenylpiperidine

1-benzhydryl-4-methoxy-4-phenylpiperidine (PubChem CID 10043898) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-benzhydryl-4-methoxy-4-phenylpiperidine.

Molecular Properties

Compound Name1-benzhydryl-4-methoxy-4-phenylpiperidine
PubChem CID10043898
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-benzhydryl-4-methoxy-4-phenylpiperidine
SMILESCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27NO/c1-27-25(23-15-9-4-10-16-23)17-19-26(20-18-25)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3
InChIKeyULOWZIQCEGBTDH-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-methoxy-4-phenylpiperidine?
The IUPAC name of 1-benzhydryl-4-methoxy-4-phenylpiperidine (CID 10043898) is 1-benzhydryl-4-methoxy-4-phenylpiperidine.
What is the SMILES notation for 1-benzhydryl-4-methoxy-4-phenylpiperidine?
The canonical SMILES for 1-benzhydryl-4-methoxy-4-phenylpiperidine is COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-methoxy-4-phenylpiperidine?
The InChIKey is ULOWZIQCEGBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-27-25(23-15-9-4-10-16-23)17-19-26(20-18-25)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3.
What are the key properties of 1-benzhydryl-4-methoxy-4-phenylpiperidine?
1-benzhydryl-4-methoxy-4-phenylpiperidine has a molecular weight of 357.50 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-methoxy-4-phenylpiperidine is sourced from PubChem (CID 10043898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).