1-(4-cyclohexylpiperidin-4-yl)butan-2-one

C15H27NO — CID 150757970

IUPAC1-(4-cyclohexylpiperidin-4-yl)butan-2-one
SMILESCCC(=O)CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H27NO/c1-2-14(17)12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h13,16H,2-12H2,1H3
InChIKeyJXGFFUMNWLYPMW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-cyclohexylpiperidin-4-yl)butan-2-one

1-(4-cyclohexylpiperidin-4-yl)butan-2-one (PubChem CID 150757970) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperidin-4-yl)butan-2-one
PubChem CID150757970
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(4-cyclohexylpiperidin-4-yl)butan-2-one
SMILESCCC(=O)CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H27NO/c1-2-14(17)12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h13,16H,2-12H2,1H3
InChIKeyJXGFFUMNWLYPMW-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride
CID 70129045
2-(1-piperidin-4-ylcyclohexyl)acetamide
CID 139933994
(3-cyclopentylpyrrolidin-3-yl)methanol
CID 82945260
4-cyclohexylpiperidin-4-ol
CID 44598718
2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088
1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 21018603
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556
cyclopentyl-(4-propylpiperidin-4-yl)methanone
CID 116569037
4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
CID 90894414
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)butan-2-one?
The IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)butan-2-one (CID 150757970) is 1-(4-cyclohexylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 1-(4-cyclohexylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 1-(4-cyclohexylpiperidin-4-yl)butan-2-one is CCC(=O)CC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 1-(4-cyclohexylpiperidin-4-yl)butan-2-one?
The InChIKey is JXGFFUMNWLYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-14(17)12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h13,16H,2-12H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperidin-4-yl)butan-2-one?
1-(4-cyclohexylpiperidin-4-yl)butan-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 150757970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).