1-piperidin-1-ylheptan-1-one

C12H23NO — CID 3614649

IUPAC1-piperidin-1-ylheptan-1-one
SMILESCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h2-11H2,1H3
InChIKeyRSDKLYGBHYDAOA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.97
Rot. Bonds5

About 1-piperidin-1-ylheptan-1-one

1-piperidin-1-ylheptan-1-one (PubChem CID 3614649) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-piperidin-1-ylheptan-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylheptan-1-one
PubChem CID3614649
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-piperidin-1-ylheptan-1-one
SMILESCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h2-11H2,1H3
InChIKeyRSDKLYGBHYDAOA-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-piperidin-1-ylheptan-1-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 1-piperidin-1-ylheptan-1-one?
The IUPAC name of 1-piperidin-1-ylheptan-1-one (CID 3614649) is 1-piperidin-1-ylheptan-1-one.
What is the SMILES notation for 1-piperidin-1-ylheptan-1-one?
The canonical SMILES for 1-piperidin-1-ylheptan-1-one is CCCCCCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylheptan-1-one?
The InChIKey is RSDKLYGBHYDAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-6-9-12(14)13-10-7-5-8-11-13/h2-11H2,1H3.
What are the key properties of 1-piperidin-1-ylheptan-1-one?
1-piperidin-1-ylheptan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylheptan-1-one is sourced from PubChem (CID 3614649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).