cyclohexylmethanol;1-piperidin-1-ylbutan-1-one

C16H31NO2 — CID 164604565

IUPACcyclohexylmethanol;1-piperidin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCCCC1.OCC1CCCCC1
InChIInChI=1S/C9H17NO.C7H14O/c1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2-8H2,1H3;7-8H,1-6H2
InChIKeyQMDJWXZISQMLDT-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.36
Rot. Bonds3

About cyclohexylmethanol;1-piperidin-1-ylbutan-1-one

cyclohexylmethanol;1-piperidin-1-ylbutan-1-one (PubChem CID 164604565) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is cyclohexylmethanol;1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Namecyclohexylmethanol;1-piperidin-1-ylbutan-1-one
PubChem CID164604565
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namecyclohexylmethanol;1-piperidin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCCCC1.OCC1CCCCC1
InChIInChI=1S/C9H17NO.C7H14O/c1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2-8H2,1H3;7-8H,1-6H2
InChIKeyQMDJWXZISQMLDT-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
cyclohexylmethanol;2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-oxa-2-azaspiro[3.4]octane-8-carboxamide;molecular hydrogen;1-piperidin-1-ylbutan-1-one
CID 170758370
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1-piperidin-1-ylhexane-1,3-dione
CID 101450737
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
cyclotetradecylmethanol
CID 23468347

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;1-piperidin-1-ylbutan-1-one?
The IUPAC name of cyclohexylmethanol;1-piperidin-1-ylbutan-1-one (CID 164604565) is cyclohexylmethanol;1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for cyclohexylmethanol;1-piperidin-1-ylbutan-1-one?
The canonical SMILES for cyclohexylmethanol;1-piperidin-1-ylbutan-1-one is CCCC(=O)N1CCCCC1.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;1-piperidin-1-ylbutan-1-one?
The InChIKey is QMDJWXZISQMLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C7H14O/c1-2-6-9(11)10-7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2-8H2,1H3;7-8H,1-6H2.
What are the key properties of cyclohexylmethanol;1-piperidin-1-ylbutan-1-one?
cyclohexylmethanol;1-piperidin-1-ylbutan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 164604565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).