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

C8H15NO — CID 10313185

IUPAC1-[(2S)-piperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyJEIZLWNUBXHADF-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds2

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

1-[(2S)-piperidin-2-yl]propan-2-one (PubChem CID 10313185) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2S)-piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S)-piperidin-2-yl]propan-2-one
PubChem CID10313185
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2S)-piperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyJEIZLWNUBXHADF-QMMMGPOBSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S)-piperidin-2-yl]propan-2-one (CID 10313185) is 1-[(2S)-piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S)-piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S)-piperidin-2-yl]propan-2-one is CC(=O)C[C@@H]1CCCCN1.
What is the InChIKey of 1-[(2S)-piperidin-2-yl]propan-2-one?
The InChIKey is JEIZLWNUBXHADF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-piperidin-2-yl]propan-2-one?
1-[(2S)-piperidin-2-yl]propan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-piperidin-2-yl]propan-2-one is sourced from PubChem (CID 10313185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).