1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one

C15H27NO2 — CID 79553643

IUPAC1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO2/c1-2-7-15(18)16-11-6-5-9-13(16)12-8-3-4-10-14(12)17/h12-14,17H,2-11H2,1H3
InChIKeyZGUZKVMRMMTOJU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one

1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one (PubChem CID 79553643) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
PubChem CID79553643
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO2/c1-2-7-15(18)16-11-6-5-9-13(16)12-8-3-4-10-14(12)17/h12-14,17H,2-11H2,1H3
InChIKeyZGUZKVMRMMTOJU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 79545002
3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603247
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
N,N-diethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545752
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
N-ethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545828
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
CID 114339457
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
4-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 129491820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one (CID 79553643) is 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The InChIKey is ZGUZKVMRMMTOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-7-15(18)16-11-6-5-9-13(16)12-8-3-4-10-14(12)17/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 79553643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).