1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone

C14H25NO2 — CID 116571046

IUPAC1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone
SMILESCC1CCCC(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-3-2-4-12(9-11)14(16)10-17-13-5-7-15-8-6-13/h11-13,15H,2-10H2,1H3
InChIKeyAADFDAKFPXNSOK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone

1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone (PubChem CID 116571046) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone
PubChem CID116571046
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone
SMILESCC1CCCC(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-3-2-4-12(9-11)14(16)10-17-13-5-7-15-8-6-13/h11-13,15H,2-10H2,1H3
InChIKeyAADFDAKFPXNSOK-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Azabicyclo[3.3.1]nonan-7-yl)-2-methoxyethanone
CID 25098128
1-(3-Azabicyclo[3.3.1]nonan-7-yl)-2-propan-2-yloxyethanone
CID 25098129
Piperidin-4-yl 2-(4-methylcyclohexyl)acetate
CID 58394666
[3-Methyl-2-(4-methylpiperidin-3-yl)-5-oxoheptan-4-yl] propanoate
CID 70057099
Cyclohexyl(morpholin-2-yl)methanone
CID 70532375
Methyl 2-[(1s,4s)-4-(piperidin-4-yloxy)cyclohexyl]acetate
CID 71110260
cyclohexyl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 141468105
(7aR,11aS)-6-(piperidin-4-ylmethyl)-4,5,6,7,7a,8,9,10,11,11a-decahydrobenzo[b]oxonin-3-one;molecular hydrogen
CID 143856923
(6R,6aR,10aS)-6-methyl-6-(piperidin-4-ylmethyl)-4,5,6a,7,8,9,10,10a-octahydrobenzo[b]oxocin-3-one;molecular hydrogen
CID 143890220
1-(4-Piperidin-4-yloxycyclohexyl)ethanone
CID 144482220
1-(2-Methylpropoxy)-4-piperidin-4-ylbutan-2-one
CID 158480617
(1-Oxo-1-piperidin-3-ylpropan-2-yl) cyclohexanecarboxylate
CID 174741057

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone (CID 116571046) is 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone is CC1CCCC(C(=O)COC2CCNCC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone?
The InChIKey is AADFDAKFPXNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-3-2-4-12(9-11)14(16)10-17-13-5-7-15-8-6-13/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone?
1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone has a molecular weight of 239.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 116571046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).