1-(5,5-diphenylpentyl)-4-methylpiperidine

C23H31N — CID 10358719

IUPAC1-(5,5-diphenylpentyl)-4-methylpiperidine
SMILESCC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3
InChIKeyQTMZBJMKUIKRQD-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.72
Rot. Bonds7

About 1-(5,5-diphenylpentyl)-4-methylpiperidine

1-(5,5-diphenylpentyl)-4-methylpiperidine (PubChem CID 10358719) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-(5,5-diphenylpentyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(5,5-diphenylpentyl)-4-methylpiperidine
PubChem CID10358719
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name1-(5,5-diphenylpentyl)-4-methylpiperidine
SMILESCC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3
InChIKeyQTMZBJMKUIKRQD-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diphenylpentyl)-4-methylpiperidine?
The IUPAC name of 1-(5,5-diphenylpentyl)-4-methylpiperidine (CID 10358719) is 1-(5,5-diphenylpentyl)-4-methylpiperidine.
What is the SMILES notation for 1-(5,5-diphenylpentyl)-4-methylpiperidine?
The canonical SMILES for 1-(5,5-diphenylpentyl)-4-methylpiperidine is CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(5,5-diphenylpentyl)-4-methylpiperidine?
The InChIKey is QTMZBJMKUIKRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3.
What are the key properties of 1-(5,5-diphenylpentyl)-4-methylpiperidine?
1-(5,5-diphenylpentyl)-4-methylpiperidine has a molecular weight of 321.51 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diphenylpentyl)-4-methylpiperidine is sourced from PubChem (CID 10358719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).