1-[(2R)-1-methylpiperidin-2-yl]butan-2-one

C10H19NO — CID 163040297

IUPAC1-[(2R)-1-methylpiperidin-2-yl]butan-2-one
SMILESCCC(=O)C[C@H]1CCCCN1C
InChIInChI=1S/C10H19NO/c1-3-10(12)8-9-6-4-5-7-11(9)2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyCKXIKZSNXVVTDZ-SECBINFHSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds3

About 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one

1-[(2R)-1-methylpiperidin-2-yl]butan-2-one (PubChem CID 163040297) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one.

Molecular Properties

Compound Name1-[(2R)-1-methylpiperidin-2-yl]butan-2-one
PubChem CID163040297
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2R)-1-methylpiperidin-2-yl]butan-2-one
SMILESCCC(=O)C[C@H]1CCCCN1C
InChIInChI=1S/C10H19NO/c1-3-10(12)8-9-6-4-5-7-11(9)2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyCKXIKZSNXVVTDZ-SECBINFHSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-1-methylpiperidin-2-yl]butan-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 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one?
The IUPAC name of 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one (CID 163040297) is 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one.
What is the SMILES notation for 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one?
The canonical SMILES for 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one is CCC(=O)C[C@H]1CCCCN1C.
What is the InChIKey of 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one?
The InChIKey is CKXIKZSNXVVTDZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(12)8-9-6-4-5-7-11(9)2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one?
1-[(2R)-1-methylpiperidin-2-yl]butan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methylpiperidin-2-yl]butan-2-one is sourced from PubChem (CID 163040297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).