ethyl 2-cyclohexyl-2-piperidin-1-ylacetate

C15H27NO2 — CID 117066804

IUPACethyl 2-cyclohexyl-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h13-14H,2-12H2,1H3
InChIKeyQEUVJRIXPXLCIB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds4

About ethyl 2-cyclohexyl-2-piperidin-1-ylacetate

ethyl 2-cyclohexyl-2-piperidin-1-ylacetate (PubChem CID 117066804) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-piperidin-1-ylacetate
PubChem CID117066804
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 2-cyclohexyl-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h13-14H,2-12H2,1H3
InChIKeyQEUVJRIXPXLCIB-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-cyclohexyl-2-piperidin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-cyclohexyl-2-piperidin-1-ylacetate (CID 117066804) is ethyl 2-cyclohexyl-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-cyclohexyl-2-piperidin-1-ylacetate is CCOC(=O)C(C1CCCCC1)N1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-piperidin-1-ylacetate?
The InChIKey is QEUVJRIXPXLCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-2-piperidin-1-ylacetate?
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-piperidin-1-ylacetate is sourced from PubChem (CID 117066804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).