1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)

C24H51N3 — CID 157190991

IUPAC1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)
SMILESCC1CCCCN1C.CC1CCCCN1C.CCCCN1CCCCC1C
InChIInChI=1S/C10H21N.2C7H15N/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-7-5-3-4-6-8(7)2/h10H,3-9H2,1-2H3;2*7H,3-6H2,1-2H3
InChIKeyAPRQASQEFTZSDX-UHFFFAOYSA-N
MW381.69 g/mol
LogP5.64
Rot. Bonds3

About 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)

1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine) (PubChem CID 157190991) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine).

Molecular Properties

Compound Name1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)
PubChem CID157190991
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC Name1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)
SMILESCC1CCCCN1C.CC1CCCCN1C.CCCCN1CCCCC1C
InChIInChI=1S/C10H21N.2C7H15N/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-7-5-3-4-6-8(7)2/h10H,3-9H2,1-2H3;2*7H,3-6H2,1-2H3
InChIKeyAPRQASQEFTZSDX-UHFFFAOYSA-N
XLogP5.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-2-methylpiperidine;bis(1,2-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-methylpiperidine;bis(1,2-dimethylpiperidine)?
The IUPAC name of 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine) (CID 157190991) is 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine).
What is the SMILES notation for 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)?
The canonical SMILES for 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine) is CC1CCCCN1C.CC1CCCCN1C.CCCCN1CCCCC1C.
What is the InChIKey of 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)?
The InChIKey is APRQASQEFTZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.2C7H15N/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-7-5-3-4-6-8(7)2/h10H,3-9H2,1-2H3;2*7H,3-6H2,1-2H3.
What are the key properties of 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)?
1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine) has a molecular weight of 381.69 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine) is sourced from PubChem (CID 157190991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).