(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

C16H29NO2 — CID 95629673

IUPAC(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCC[C@H](CC1CCCCC1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C16H29NO2/c1-2-14(12-13-6-4-3-5-7-13)16(19)17-10-8-15(18)9-11-17/h13-15,18H,2-12H2,1H3/t14-/m1/s1
InChIKeyLXQXIJZMACMKJJ-CQSZACIVSA-N
MW267.41 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 95629673) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID95629673
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCC[C@H](CC1CCCCC1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C16H29NO2/c1-2-14(12-13-6-4-3-5-7-13)16(19)17-10-8-15(18)9-11-17/h13-15,18H,2-12H2,1H3/t14-/m1/s1
InChIKeyLXQXIJZMACMKJJ-CQSZACIVSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 124074234
(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
(4-ethylcyclohexyl)-[(4S)-4-hydroxyazepan-1-yl]methanone
CID 124298123
[(3R)-3-hydroxypiperidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126835510
3-cyclopentyl-1-[(3R,4R)-4-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 164630330
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
(4,4-Difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103859881
4,4-difluoro-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 109869007
3-Cyclohexyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 109884156
3-Cyclohexyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 109884164

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (CID 95629673) is (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is CC[C@H](CC1CCCCC1)C(=O)N1CCC(O)CC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is LXQXIJZMACMKJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-14(12-13-6-4-3-5-7-13)16(19)17-10-8-15(18)9-11-17/h13-15,18H,2-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 95629673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).