3,3-dimethyl-1-(5-phenylpentyl)piperidine

C18H29N — CID 10637652

IUPAC3,3-dimethyl-1-(5-phenylpentyl)piperidine
SMILESCC1(C)CCCN(CCCCCc2ccccc2)C1
InChIInChI=1S/C18H29N/c1-18(2)13-9-15-19(16-18)14-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3
InChIKeyABJIDNJEVJJMJF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds6

About 3,3-dimethyl-1-(5-phenylpentyl)piperidine

3,3-dimethyl-1-(5-phenylpentyl)piperidine (PubChem CID 10637652) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-phenylpentyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-phenylpentyl)piperidine
PubChem CID10637652
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3,3-dimethyl-1-(5-phenylpentyl)piperidine
SMILESCC1(C)CCCN(CCCCCc2ccccc2)C1
InChIInChI=1S/C18H29N/c1-18(2)13-9-15-19(16-18)14-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3
InChIKeyABJIDNJEVJJMJF-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-(5-phenylpentyl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-phenylpentyl)piperidine?
The IUPAC name of 3,3-dimethyl-1-(5-phenylpentyl)piperidine (CID 10637652) is 3,3-dimethyl-1-(5-phenylpentyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(5-phenylpentyl)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(5-phenylpentyl)piperidine is CC1(C)CCCN(CCCCCc2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-1-(5-phenylpentyl)piperidine?
The InChIKey is ABJIDNJEVJJMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2)13-9-15-19(16-18)14-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(5-phenylpentyl)piperidine?
3,3-dimethyl-1-(5-phenylpentyl)piperidine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-phenylpentyl)piperidine is sourced from PubChem (CID 10637652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).