ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate

C14H23NO2 — CID 23342949

IUPACethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCCCC2)CC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15/h8,12H,2-7,9-11H2,1H3
InChIKeyFSFMMITZPQJAPI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds3

About ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate

ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate (PubChem CID 23342949) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
PubChem CID23342949
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCCCC2)CC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15/h8,12H,2-7,9-11H2,1H3
InChIKeyFSFMMITZPQJAPI-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate (CID 23342949) is ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The InChIKey is FSFMMITZPQJAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15/h8,12H,2-7,9-11H2,1H3.
What are the key properties of ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 23342949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).