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

C9H17NO — CID 820378

IUPAC1-[(2S)-1-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCCN1C
InChIInChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyTYHJMEIBGDDCPA-VIFPVBQESA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

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

1-[(2S)-1-methylpiperidin-2-yl]propan-2-one (PubChem CID 820378) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S)-1-methylpiperidin-2-yl]propan-2-one
PubChem CID820378
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2S)-1-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCCN1C
InChIInChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyTYHJMEIBGDDCPA-VIFPVBQESA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one (CID 820378) is 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one is CC(=O)C[C@@H]1CCCCN1C.
What is the InChIKey of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one?
The InChIKey is TYHJMEIBGDDCPA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one?
1-[(2S)-1-methylpiperidin-2-yl]propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one is sourced from PubChem (CID 820378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).