6-(4-aminobutyl)piperidin-2-one

C9H18N2O — CID 19019647

IUPAC6-(4-aminobutyl)piperidin-2-one
SMILESNCCCCC1CCCC(=O)N1
InChIInChI=1S/C9H18N2O/c10-7-2-1-4-8-5-3-6-9(12)11-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBZLWGKWDPAEQSW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.78
Rot. Bonds4

About 6-(4-aminobutyl)piperidin-2-one

6-(4-aminobutyl)piperidin-2-one (PubChem CID 19019647) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(4-aminobutyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-aminobutyl)piperidin-2-one
PubChem CID19019647
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(4-aminobutyl)piperidin-2-one
SMILESNCCCCC1CCCC(=O)N1
InChIInChI=1S/C9H18N2O/c10-7-2-1-4-8-5-3-6-9(12)11-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBZLWGKWDPAEQSW-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-aminobutyl)piperidin-2-one 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 6-(4-aminobutyl)piperidin-2-one?
The IUPAC name of 6-(4-aminobutyl)piperidin-2-one (CID 19019647) is 6-(4-aminobutyl)piperidin-2-one.
What is the SMILES notation for 6-(4-aminobutyl)piperidin-2-one?
The canonical SMILES for 6-(4-aminobutyl)piperidin-2-one is NCCCCC1CCCC(=O)N1.
What is the InChIKey of 6-(4-aminobutyl)piperidin-2-one?
The InChIKey is BZLWGKWDPAEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-7-2-1-4-8-5-3-6-9(12)11-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 6-(4-aminobutyl)piperidin-2-one?
6-(4-aminobutyl)piperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutyl)piperidin-2-one is sourced from PubChem (CID 19019647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).