1-[(4-methoxyphenyl)-diphenylmethyl]piperidine

C25H27NO — CID 58455166

IUPAC1-[(4-methoxyphenyl)-diphenylmethyl]piperidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C25H27NO/c1-27-24-17-15-23(16-18-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)26-19-9-4-10-20-26/h2-3,5-8,11-18H,4,9-10,19-20H2,1H3
InChIKeyLVPVXRBHNJFHTD-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.47
Rot. Bonds5

About 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine

1-[(4-methoxyphenyl)-diphenylmethyl]piperidine (PubChem CID 58455166) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-diphenylmethyl]piperidine
PubChem CID58455166
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-[(4-methoxyphenyl)-diphenylmethyl]piperidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C25H27NO/c1-27-24-17-15-23(16-18-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)26-19-9-4-10-20-26/h2-3,5-8,11-18H,4,9-10,19-20H2,1H3
InChIKeyLVPVXRBHNJFHTD-UHFFFAOYSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine (CID 58455166) is 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine is COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine?
The InChIKey is LVPVXRBHNJFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-27-24-17-15-23(16-18-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)26-19-9-4-10-20-26/h2-3,5-8,11-18H,4,9-10,19-20H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine?
1-[(4-methoxyphenyl)-diphenylmethyl]piperidine has a molecular weight of 357.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-diphenylmethyl]piperidine is sourced from PubChem (CID 58455166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).