3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

C15H27NO2 — CID 111425120

IUPAC3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H27NO2/c1-12(11-13-5-3-2-4-6-13)15(18)16-9-7-14(17)8-10-16/h12-14,17H,2-11H2,1H3
InChIKeyIKMLTSXQWYWFBG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds3

About 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 111425120) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID111425120
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H27NO2/c1-12(11-13-5-3-2-4-6-13)15(18)16-9-7-14(17)8-10-16/h12-14,17H,2-11H2,1H3
InChIKeyIKMLTSXQWYWFBG-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bicyclo[2.2.1]heptanyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 45795540
(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
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-(1-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 106834342
4,4-difluoro-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 109869007
(4,4-Difluorocyclohexyl)-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 109869268
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 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 111425120) is 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is CC(CC1CCCCC1)C(=O)N1CCC(O)CC1.
What is the InChIKey of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is IKMLTSXQWYWFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(11-13-5-3-2-4-6-13)15(18)16-9-7-14(17)8-10-16/h12-14,17H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 111425120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).