ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate

C17H27NO2 — CID 10016363

IUPACethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
SMILESC/C=C/C1(C(=O)OCC)CCCC=C1N1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-11-17(16(19)20-4-2)12-7-6-10-15(17)18-13-8-5-9-14-18/h3,10-11H,4-9,12-14H2,1-2H3/b11-3+
InChIKeyJRWPGBRNLJPENW-QDEBKDIKSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds4

About ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate

ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate (PubChem CID 10016363) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
PubChem CID10016363
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
SMILESC/C=C/C1(C(=O)OCC)CCCC=C1N1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-11-17(16(19)20-4-2)12-7-6-10-15(17)18-13-8-5-9-14-18/h3,10-11H,4-9,12-14H2,1-2H3/b11-3+
InChIKeyJRWPGBRNLJPENW-QDEBKDIKSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.67
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

Hexyl 3-(4-ethenyl-1-methylpiperidin-1-ium-1-yl)-2-methylpent-3-enoate
CID 57035559
methyl (1S)-1-methyl-2-morpholin-4-ylcyclohex-2-ene-1-carboxylate
CID 71019149
Ethyl 2-(azepan-1-yl)-1-methylcyclohex-2-ene-1-carboxylate
CID 10015734
ethyl 1-[(E)-1-bromoprop-1-en-2-yl]-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10021144
Ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10037171
Ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10037812
ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10061318
Ethyl 2-(azepan-1-yl)-1-prop-2-enylcyclopent-2-ene-1-carboxylate
CID 10084898
Ethyl 2-piperidin-1-yl-1-prop-2-enylcyclopent-2-ene-1-carboxylate
CID 10106818
ethyl 2-(azepan-1-yl)-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
CID 10266297
Ethyl 1-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carboxylate
CID 10399281
Ethyl 1-ethyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10400656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate (CID 10016363) is ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate is C/C=C/C1(C(=O)OCC)CCCC=C1N1CCCCC1.
What is the InChIKey of ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate?
The InChIKey is JRWPGBRNLJPENW-QDEBKDIKSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-17(16(19)20-4-2)12-7-6-10-15(17)18-13-8-5-9-14-18/h3,10-11H,4-9,12-14H2,1-2H3/b11-3+.
What are the key properties of ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate?
ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate has a molecular weight of 277.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10016363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).