(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one

C14H25NO2 — CID 59948409

IUPAC(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
SMILESO=C([C@@H](O)CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(11-12-7-3-1-4-8-12)14(17)15-9-5-2-6-10-15/h12-13,16H,1-11H2/t13-/m0/s1
InChIKeyXYLXNBMWZGGBJI-ZDUSSCGKSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds3

About (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one

(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one (PubChem CID 59948409) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
PubChem CID59948409
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
SMILESO=C([C@@H](O)CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(11-12-7-3-1-4-8-12)14(17)15-9-5-2-6-10-15/h12-13,16H,1-11H2/t13-/m0/s1
InChIKeyXYLXNBMWZGGBJI-ZDUSSCGKSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019
2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 130148123
copper bis(3-cyclohexyl-2-hydroxypropanoate)
CID 129047910
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide
CID 124886345
1-(azepan-1-yl)-2-chloro-2-cyclopentylethanone
CID 62225378
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one (CID 59948409) is (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one is O=C([C@@H](O)CC1CCCCC1)N1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is XYLXNBMWZGGBJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13(11-12-7-3-1-4-8-12)14(17)15-9-5-2-6-10-15/h12-13,16H,1-11H2/t13-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one?
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 59948409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).