[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone

C14H19NO2 — CID 7329928

IUPAC[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)C[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-10-9-15(11(2)8-13(10)16)14(17)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11+,13+/m1/s1
InChIKeyGXJNSARMQFFFQL-MDZLAQPJSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds1

About [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone

[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone (PubChem CID 7329928) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
PubChem CID7329928
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)C[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-10-9-15(11(2)8-13(10)16)14(17)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11+,13+/m1/s1
InChIKeyGXJNSARMQFFFQL-MDZLAQPJSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
(1-benzoyl-6-methylpiperidin-3-yl) methanesulfonate
CID 144697951
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
[(2S,4S)-2-methyl-4-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 45141410
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone (CID 7329928) is [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)C[C@@H]1O.
What is the InChIKey of [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone?
The InChIKey is GXJNSARMQFFFQL-MDZLAQPJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-9-15(11(2)8-13(10)16)14(17)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11+,13+/m1/s1.
What are the key properties of [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone?
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 7329928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).