1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one

C9H17NO — CID 11008158

IUPAC1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyPLVQSRXCDPEDHN-CBAPKCEASA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds2

About 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one

1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one (PubChem CID 11008158) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one
PubChem CID11008158
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyPLVQSRXCDPEDHN-CBAPKCEASA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-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-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one (CID 11008158) is 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one is CC(=O)C[C@@H]1CCC[C@H](C)N1.
What is the InChIKey of 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one?
The InChIKey is PLVQSRXCDPEDHN-CBAPKCEASA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one?
1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-6-methylpiperidin-2-yl]propan-2-one is sourced from PubChem (CID 11008158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).