4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one

C14H19NO — CID 53382448

IUPAC4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESCC1CCN([C@@H](C)c2ccccc2)C(=O)C1
InChIInChI=1S/C14H19NO/c1-11-8-9-15(14(16)10-11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyAKJHDSHHUAGOBJ-KIYNQFGBSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one

4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one (PubChem CID 53382448) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
PubChem CID53382448
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESCC1CCN([C@@H](C)c2ccccc2)C(=O)C1
InChIInChI=1S/C14H19NO/c1-11-8-9-15(14(16)10-11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyAKJHDSHHUAGOBJ-KIYNQFGBSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The IUPAC name of 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one (CID 53382448) is 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one is CC1CCN([C@@H](C)c2ccccc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The InChIKey is AKJHDSHHUAGOBJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-9-15(14(16)10-11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 53382448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).