1-butyl-2,5-dimethylpiperidine

C11H23N — CID 130702123

IUPAC1-butyl-2,5-dimethylpiperidine
SMILESCCCCN1CC(C)CCC1C
InChIInChI=1S/C11H23N/c1-4-5-8-12-9-10(2)6-7-11(12)3/h10-11H,4-9H2,1-3H3
InChIKeyCZUSALZBMJJOQH-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds3

About 1-butyl-2,5-dimethylpiperidine

1-butyl-2,5-dimethylpiperidine (PubChem CID 130702123) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-butyl-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-butyl-2,5-dimethylpiperidine
PubChem CID130702123
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-butyl-2,5-dimethylpiperidine
SMILESCCCCN1CC(C)CCC1C
InChIInChI=1S/C11H23N/c1-4-5-8-12-9-10(2)6-7-11(12)3/h10-11H,4-9H2,1-3H3
InChIKeyCZUSALZBMJJOQH-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-2,5-dimethylpiperidine 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 1-butyl-2,5-dimethylpiperidine?
The IUPAC name of 1-butyl-2,5-dimethylpiperidine (CID 130702123) is 1-butyl-2,5-dimethylpiperidine.
What is the SMILES notation for 1-butyl-2,5-dimethylpiperidine?
The canonical SMILES for 1-butyl-2,5-dimethylpiperidine is CCCCN1CC(C)CCC1C.
What is the InChIKey of 1-butyl-2,5-dimethylpiperidine?
The InChIKey is CZUSALZBMJJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-8-12-9-10(2)6-7-11(12)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-butyl-2,5-dimethylpiperidine?
1-butyl-2,5-dimethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,5-dimethylpiperidine is sourced from PubChem (CID 130702123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).