ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate

C16H27NO2 — CID 10400656

IUPACethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CCCC=C1N1CCCCC1
InChIInChI=1S/C16H27NO2/c1-3-16(15(18)19-4-2)11-7-6-10-14(16)17-12-8-5-9-13-17/h10H,3-9,11-13H2,1-2H3
InChIKeySVIZUUAGTVTOJG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.50
Rot. Bonds4

About ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate

ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate (PubChem CID 10400656) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
PubChem CID10400656
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nameethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CCCC=C1N1CCCCC1
InChIInChI=1S/C16H27NO2/c1-3-16(15(18)19-4-2)11-7-6-10-14(16)17-12-8-5-9-13-17/h10H,3-9,11-13H2,1-2H3
InChIKeySVIZUUAGTVTOJG-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate (CID 10400656) is ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1(CC)CCCC=C1N1CCCCC1.
What is the InChIKey of ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
The InChIKey is SVIZUUAGTVTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-16(15(18)19-4-2)11-7-6-10-14(16)17-12-8-5-9-13-17/h10H,3-9,11-13H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate?
ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10400656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).