ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate

C14H23NO2 — CID 115618801

IUPACethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1C=CCCC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)13-10-6-7-11-15(13)12-8-4-3-5-9-12/h4,8,12-13H,2-3,5-7,9-11H2,1H3
InChIKeyHOTUKRAQUQYVOC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

About ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate

ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate (PubChem CID 115618801) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate
PubChem CID115618801
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1C=CCCC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)13-10-6-7-11-15(13)12-8-4-3-5-9-12/h4,8,12-13H,2-3,5-7,9-11H2,1H3
InChIKeyHOTUKRAQUQYVOC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (S)-1-(pent-4-enoyl)piperidine-2-carboxylate
CID 122361314
(6-Morpholin-4-ylcyclohexen-1-yl) acetate
CID 121008291
ethyl (9Z,12Z,15Z)-2-(diethylamino)octadeca-9,12,15-trienoate
CID 59187775
ethyl (1S,3S,4R)-2-ethyl-2-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
CID 67561889
2-[Bis(prop-2-enyl)amino]ethyl 1-methylpiperidine-2-carboxylate
CID 67815973
Ethyl 2-(diethylamino)octadeca-9,12,15-trienoate
CID 72538126
ethyl 2-ethyl-3,4,8,8a-tetrahydro-1H-isoquinoline-1-carboxylate
CID 89514113
ethyl 1-[(E)-3-methylhept-2-enoyl]piperidine-2-carboxylate
CID 89976178
ethyl 1-[(E)-3-methylhex-2-enoyl]piperidine-2-carboxylate
CID 89976296
ethyl 1-[(E)-3-methylpent-2-enoyl]piperidine-2-carboxylate
CID 89976328
2-(5-Methylcyclohexa-1,3-dien-1-yl)-2-morpholin-4-ylacetic acid
CID 91041574
(Z)-2-morpholin-4-yloctadec-9-enoic acid
CID 141190731

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate (CID 115618801) is ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1C1C=CCCC1.
What is the InChIKey of ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate?
The InChIKey is HOTUKRAQUQYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-14(16)13-10-6-7-11-15(13)12-8-4-3-5-9-12/h4,8,12-13H,2-3,5-7,9-11H2,1H3.
What are the key properties of ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate?
ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate is sourced from PubChem (CID 115618801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).