1-[(1S)-1-phenylethyl]piperidin-4-one

C13H17NO — CID 11367699

IUPAC1-[(1S)-1-phenylethyl]piperidin-4-one
SMILESC[C@@H](c1ccccc1)N1CCC(=O)CC1
InChIInChI=1S/C13H17NO/c1-11(12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyCDVAHHCNEWIUMV-NSHDSACASA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]piperidin-4-one

1-[(1S)-1-phenylethyl]piperidin-4-one (PubChem CID 11367699) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]piperidin-4-one
PubChem CID11367699
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(1S)-1-phenylethyl]piperidin-4-one
SMILESC[C@@H](c1ccccc1)N1CCC(=O)CC1
InChIInChI=1S/C13H17NO/c1-11(12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyCDVAHHCNEWIUMV-NSHDSACASA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]piperidin-4-one?
The IUPAC name of 1-[(1S)-1-phenylethyl]piperidin-4-one (CID 11367699) is 1-[(1S)-1-phenylethyl]piperidin-4-one.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]piperidin-4-one?
The canonical SMILES for 1-[(1S)-1-phenylethyl]piperidin-4-one is C[C@@H](c1ccccc1)N1CCC(=O)CC1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]piperidin-4-one?
The InChIKey is CDVAHHCNEWIUMV-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO/c1-11(12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-6,11H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]piperidin-4-one?
1-[(1S)-1-phenylethyl]piperidin-4-one has a molecular weight of 203.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]piperidin-4-one is sourced from PubChem (CID 11367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).