(6R)-6-(2-methylpropyl)piperidin-3-one

C9H17NO — CID 159496967

IUPAC(6R)-6-(2-methylpropyl)piperidin-3-one
SMILESCC(C)C[C@H]1CCC(=O)CN1
InChIInChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQNUIEHKOJXAEHM-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds2

About (6R)-6-(2-methylpropyl)piperidin-3-one

(6R)-6-(2-methylpropyl)piperidin-3-one (PubChem CID 159496967) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (6R)-6-(2-methylpropyl)piperidin-3-one.

Molecular Properties

Compound Name(6R)-6-(2-methylpropyl)piperidin-3-one
PubChem CID159496967
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(6R)-6-(2-methylpropyl)piperidin-3-one
SMILESCC(C)C[C@H]1CCC(=O)CN1
InChIInChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQNUIEHKOJXAEHM-MRVPVSSYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-6-(2-methylpropyl)piperidin-3-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 (6R)-6-(2-methylpropyl)piperidin-3-one?
The IUPAC name of (6R)-6-(2-methylpropyl)piperidin-3-one (CID 159496967) is (6R)-6-(2-methylpropyl)piperidin-3-one.
What is the SMILES notation for (6R)-6-(2-methylpropyl)piperidin-3-one?
The canonical SMILES for (6R)-6-(2-methylpropyl)piperidin-3-one is CC(C)C[C@H]1CCC(=O)CN1.
What is the InChIKey of (6R)-6-(2-methylpropyl)piperidin-3-one?
The InChIKey is QNUIEHKOJXAEHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-8-3-4-9(11)6-10-8/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (6R)-6-(2-methylpropyl)piperidin-3-one?
(6R)-6-(2-methylpropyl)piperidin-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methylpropyl)piperidin-3-one is sourced from PubChem (CID 159496967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).