1-benzhydryl-4-ethoxy-4-phenylpiperidine

C26H29NO — CID 10022129

IUPAC1-benzhydryl-4-ethoxy-4-phenylpiperidine
SMILESCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29NO/c1-2-28-26(24-16-10-5-11-17-24)18-20-27(21-19-26)25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3
InChIKeyHFALMYBPBZADRA-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.80
Rot. Bonds6

About 1-benzhydryl-4-ethoxy-4-phenylpiperidine

1-benzhydryl-4-ethoxy-4-phenylpiperidine (PubChem CID 10022129) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-benzhydryl-4-ethoxy-4-phenylpiperidine.

Molecular Properties

Compound Name1-benzhydryl-4-ethoxy-4-phenylpiperidine
PubChem CID10022129
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name1-benzhydryl-4-ethoxy-4-phenylpiperidine
SMILESCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29NO/c1-2-28-26(24-16-10-5-11-17-24)18-20-27(21-19-26)25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3
InChIKeyHFALMYBPBZADRA-UHFFFAOYSA-N
XLogP5.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-ethoxy-4-phenylpiperidine?
The IUPAC name of 1-benzhydryl-4-ethoxy-4-phenylpiperidine (CID 10022129) is 1-benzhydryl-4-ethoxy-4-phenylpiperidine.
What is the SMILES notation for 1-benzhydryl-4-ethoxy-4-phenylpiperidine?
The canonical SMILES for 1-benzhydryl-4-ethoxy-4-phenylpiperidine is CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-ethoxy-4-phenylpiperidine?
The InChIKey is HFALMYBPBZADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-2-28-26(24-16-10-5-11-17-24)18-20-27(21-19-26)25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3.
What are the key properties of 1-benzhydryl-4-ethoxy-4-phenylpiperidine?
1-benzhydryl-4-ethoxy-4-phenylpiperidine has a molecular weight of 371.52 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-ethoxy-4-phenylpiperidine is sourced from PubChem (CID 10022129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).