ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate

C15H27NO2 — CID 142887081

IUPACethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-18-15(17)12-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyPURXMMOARBSSKV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds4

About ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate

ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate (PubChem CID 142887081) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
PubChem CID142887081
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-18-15(17)12-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyPURXMMOARBSSKV-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate (CID 142887081) is ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate is CCOC(=O)CN1CCC(C2CCCCC2)CC1.
What is the InChIKey of ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate?
The InChIKey is PURXMMOARBSSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-18-15(17)12-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate?
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate has a molecular weight of 253.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate is sourced from PubChem (CID 142887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).