2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone

C16H29NO2 — CID 112537559

IUPAC2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-15(18)14-8-10-17(11-9-14)16(19)12-13-6-4-3-5-7-13/h13-15,18H,2-12H2,1H3
InChIKeyIVUCSMRNPDISAQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.97
Rot. Bonds4

About 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 112537559) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID112537559
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-15(18)14-8-10-17(11-9-14)16(19)12-13-6-4-3-5-7-13/h13-15,18H,2-12H2,1H3
InChIKeyIVUCSMRNPDISAQ-UHFFFAOYSA-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-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (CID 112537559) is 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is CCC(O)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is IVUCSMRNPDISAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-15(18)14-8-10-17(11-9-14)16(19)12-13-6-4-3-5-7-13/h13-15,18H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone 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 2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 112537559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).