1-[4-(4-methylphenyl)butyl]piperidine

C16H25N — CID 45485498

IUPAC1-[4-(4-methylphenyl)butyl]piperidine
SMILESCc1ccc(CCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3
InChIKeyZJZNOPQUDXUEDU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-(4-methylphenyl)butyl]piperidine

1-[4-(4-methylphenyl)butyl]piperidine (PubChem CID 45485498) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)butyl]piperidine
PubChem CID45485498
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[4-(4-methylphenyl)butyl]piperidine
SMILESCc1ccc(CCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3
InChIKeyZJZNOPQUDXUEDU-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
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-[4-(4-methylphenyl)butyl]piperidine?
The IUPAC name of 1-[4-(4-methylphenyl)butyl]piperidine (CID 45485498) is 1-[4-(4-methylphenyl)butyl]piperidine.
What is the SMILES notation for 1-[4-(4-methylphenyl)butyl]piperidine?
The canonical SMILES for 1-[4-(4-methylphenyl)butyl]piperidine is Cc1ccc(CCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)butyl]piperidine?
The InChIKey is ZJZNOPQUDXUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)butyl]piperidine?
1-[4-(4-methylphenyl)butyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)butyl]piperidine is sourced from PubChem (CID 45485498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).