(3-methylcyclohexyl) 2-piperidin-1-ylacetate

C14H25NO2 — CID 156718773

IUPAC(3-methylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CCCC(OC(=O)CN2CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-12-6-5-7-13(10-12)17-14(16)11-15-8-3-2-4-9-15/h12-13H,2-11H2,1H3
InChIKeyFEYJJNQEXMUNJV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds3

About (3-methylcyclohexyl) 2-piperidin-1-ylacetate

(3-methylcyclohexyl) 2-piperidin-1-ylacetate (PubChem CID 156718773) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-piperidin-1-ylacetate
PubChem CID156718773
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3-methylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CCCC(OC(=O)CN2CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-12-6-5-7-13(10-12)17-14(16)11-15-8-3-2-4-9-15/h12-13H,2-11H2,1H3
InChIKeyFEYJJNQEXMUNJV-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62825536
(3-methylcyclohexyl) 2-(2-oxoazocan-1-yl)acetate
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(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
CID 3092154
(3-methylcyclohexyl) 4-methylpentanoate
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ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
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(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
(3-methylcyclohexyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
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(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
CID 66031402
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
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[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(azepan-1-yl)acetate
CID 23328231

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-piperidin-1-ylacetate?
The IUPAC name of (3-methylcyclohexyl) 2-piperidin-1-ylacetate (CID 156718773) is (3-methylcyclohexyl) 2-piperidin-1-ylacetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-piperidin-1-ylacetate?
The canonical SMILES for (3-methylcyclohexyl) 2-piperidin-1-ylacetate is CC1CCCC(OC(=O)CN2CCCCC2)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-piperidin-1-ylacetate?
The InChIKey is FEYJJNQEXMUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-6-5-7-13(10-12)17-14(16)11-15-8-3-2-4-9-15/h12-13H,2-11H2,1H3.
What are the key properties of (3-methylcyclohexyl) 2-piperidin-1-ylacetate?
(3-methylcyclohexyl) 2-piperidin-1-ylacetate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-piperidin-1-ylacetate is sourced from PubChem (CID 156718773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).