(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one

C15H21NO — CID 7374779

IUPAC(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one
SMILESC[C@@H]1CN(CCc2ccccc2)[C@@H](C)CC1=O
InChIInChI=1S/C15H21NO/c1-12-11-16(13(2)10-15(12)17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyOCHGEROFEPMAMC-OLZOCXBDSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds3

About (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one

(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one (PubChem CID 7374779) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one
PubChem CID7374779
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one
SMILESC[C@@H]1CN(CCc2ccccc2)[C@@H](C)CC1=O
InChIInChI=1S/C15H21NO/c1-12-11-16(13(2)10-15(12)17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyOCHGEROFEPMAMC-OLZOCXBDSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
CID 64870549
(2S,5S)-2,5-dimethyl-1-prop-2-ynylpiperidin-4-one
CID 6355719
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
6-methyl-1-(3-phenylpropyl)piperidin-3-amine
CID 61238461
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
1-benzyl-3-methylpiperidin-4-one
CID 560965
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one (CID 7374779) is (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one is C[C@@H]1CN(CCc2ccccc2)[C@@H](C)CC1=O.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one?
The InChIKey is OCHGEROFEPMAMC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-11-16(13(2)10-15(12)17)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one?
(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one is sourced from PubChem (CID 7374779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).