1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one

C14H27NO2 — CID 115276540

IUPAC1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11-12,16H,5-10H2,1-4H3
InChIKeyHGNPEJZAMILPLI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one (PubChem CID 115276540) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
PubChem CID115276540
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11-12,16H,5-10H2,1-4H3
InChIKeyHGNPEJZAMILPLI-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
CID 115276559
3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
CID 115276610
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
(3R,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-methylhexanoyl)piperidine-3-carboxylic acid;formic acid
CID 166599176
5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 164720078
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-(5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 162638323
1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 130871006
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one?
The IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one (CID 115276540) is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one?
The canonical SMILES for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one is CC(C)CCCC(=O)N1CCC(O)C(C)(C)C1.
What is the InChIKey of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one?
The InChIKey is HGNPEJZAMILPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)6-5-7-13(17)15-9-8-12(16)14(3,4)10-15/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one?
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one is sourced from PubChem (CID 115276540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).