1-(6,6-diphenylhexyl)piperidine

C23H31N — CID 161365973

IUPAC1-(6,6-diphenylhexyl)piperidine
SMILESc1ccc(C(CCCCCN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-5-13-21(14-6-1)23(22-15-7-2-8-16-22)17-9-3-10-18-24-19-11-4-12-20-24/h1-2,5-8,13-16,23H,3-4,9-12,17-20H2
InChIKeyVPUUIILQKXNLSL-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.86
Rot. Bonds8

About 1-(6,6-diphenylhexyl)piperidine

1-(6,6-diphenylhexyl)piperidine (PubChem CID 161365973) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-(6,6-diphenylhexyl)piperidine.

Molecular Properties

Compound Name1-(6,6-diphenylhexyl)piperidine
PubChem CID161365973
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name1-(6,6-diphenylhexyl)piperidine
SMILESc1ccc(C(CCCCCN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-5-13-21(14-6-1)23(22-15-7-2-8-16-22)17-9-3-10-18-24-19-11-4-12-20-24/h1-2,5-8,13-16,23H,3-4,9-12,17-20H2
InChIKeyVPUUIILQKXNLSL-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6,6-diphenylhexyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenyl-7-piperidin-1-ylheptyl)aniline
CID 70534760
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
5,5-diphenyl-1-piperidin-1-ylpentan-1-amine
CID 56991990
1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride
CID 23039558
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-diphenylhexyl)piperidine?
The IUPAC name of 1-(6,6-diphenylhexyl)piperidine (CID 161365973) is 1-(6,6-diphenylhexyl)piperidine.
What is the SMILES notation for 1-(6,6-diphenylhexyl)piperidine?
The canonical SMILES for 1-(6,6-diphenylhexyl)piperidine is c1ccc(C(CCCCCN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(6,6-diphenylhexyl)piperidine?
The InChIKey is VPUUIILQKXNLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-5-13-21(14-6-1)23(22-15-7-2-8-16-22)17-9-3-10-18-24-19-11-4-12-20-24/h1-2,5-8,13-16,23H,3-4,9-12,17-20H2.
What are the key properties of 1-(6,6-diphenylhexyl)piperidine?
1-(6,6-diphenylhexyl)piperidine has a molecular weight of 321.51 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-diphenylhexyl)piperidine is sourced from PubChem (CID 161365973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).