(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate

C16H29NO2 — CID 3287793

IUPAC(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate
SMILESCC1CCC(COC(=O)CN2CCCCC2)C(C)C1
InChIInChI=1S/C16H29NO2/c1-13-6-7-15(14(2)10-13)12-19-16(18)11-17-8-4-3-5-9-17/h13-15H,3-12H2,1-2H3
InChIKeyFLJUKBIGDILGBI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.09
Rot. Bonds4

About (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate

(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate (PubChem CID 3287793) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate
PubChem CID3287793
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate
SMILESCC1CCC(COC(=O)CN2CCCCC2)C(C)C1
InChIInChI=1S/C16H29NO2/c1-13-6-7-15(14(2)10-13)12-19-16(18)11-17-8-4-3-5-9-17/h13-15H,3-12H2,1-2H3
InChIKeyFLJUKBIGDILGBI-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Tert-butylcyclohexyl) 2-piperidin-1-ylacetate
CID 738517
C18H34Ino2
CID 16189443
2-(2-Methylpropyl)cyclohexyl piperidin-1-ylacetate
CID 3268412
2-(2-Methylpropyl)cyclohexyl 2-(methylpiperidyl)acetate
CID 3122277
3,3,5-Trimethylcyclohexyl piperidin-1-ylacetate
CID 3628399
1-{2-[(4-Tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpiperidin-1-ium
CID 4583712
4-[2-(3-Cyclohexylpropoxy)-2-oxoethyl]-4-methylmorpholin-4-ium
CID 1974642
1-{2-[(2,4-Dimethylcyclohexyl)methoxy]-2-oxoethyl}-1-methylpiperidinium
CID 5094348
3-Cyclohexylpropyl piperidin-1-ylacetate
CID 1986629
3-Cyclohexylpropyl 2-(methylpiperidyl)acetate
CID 3122278
[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-piperidin-1-ylacetate
CID 25154980
4-Morpholineacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 3221411

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate?
The IUPAC name of (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate (CID 3287793) is (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate.
What is the SMILES notation for (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate?
The canonical SMILES for (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate is CC1CCC(COC(=O)CN2CCCCC2)C(C)C1.
What is the InChIKey of (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate?
The InChIKey is FLJUKBIGDILGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-6-7-15(14(2)10-13)12-19-16(18)11-17-8-4-3-5-9-17/h13-15H,3-12H2,1-2H3.
What are the key properties of (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate?
(2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate has a molecular weight of 267.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexyl)methyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 3287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).