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

C14H19NO — CID 13198301

IUPAC(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
SMILESC[C@H]1CC(=O)CCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-14(16)8-9-15(11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyXOGIRAQPVLKDBV-RYUDHWBXSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds2

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

(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one (PubChem CID 13198301) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
PubChem CID13198301
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
SMILESC[C@H]1CC(=O)CCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-14(16)8-9-15(11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyXOGIRAQPVLKDBV-RYUDHWBXSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
CID 54976202
4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
CID 54593505
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
2-methyl-1-(3-propan-2-ylphenyl)piperidin-4-one
CID 54975286
1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 20769426
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
(6R)-6-methyl-7-[(1R)-1-phenylethyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 163219485
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one?
The IUPAC name of (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one (CID 13198301) is (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one.
What is the SMILES notation for (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one?
The canonical SMILES for (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one is C[C@H]1CC(=O)CCN1[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one?
The InChIKey is XOGIRAQPVLKDBV-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-10-14(16)8-9-15(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 (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one?
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one is sourced from PubChem (CID 13198301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).