4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid

C15H23NO2 — CID 54522340

IUPAC4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCN1CCC(C2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C15H23NO2/c1-2-9-16-10-8-13(14(11-16)15(17)18)12-6-4-3-5-7-12/h2-4,12-14H,1,5-11H2,(H,17,18)
InChIKeyYQRRLBNSDMYHNT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds4

About 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid

4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 54522340) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID54522340
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCN1CCC(C2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C15H23NO2/c1-2-9-16-10-8-13(14(11-16)15(17)18)12-6-4-3-5-7-12/h2-4,12-14H,1,5-11H2,(H,17,18)
InChIKeyYQRRLBNSDMYHNT-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
CID 127032654
(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid
CID 138977984
(3R,5S)-1-prop-2-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid
CID 162400794
(E)-2-(1-piperidin-1-ylcyclopentyl)hept-4-enoic acid
CID 17805551
1-(2-Piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18463276
4-cyclohexyl-1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 19387968
4-Cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid
CID 23388586
(4S,4aS)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-2,4-dicarboxylic acid
CID 91217583
5-(Cyclohexa-2,4-dien-1-ylmethyl)-1-methylpiperidine-3-carboxylic acid
CID 123654520
4-Cyclohexa-2,4-dien-1-yl-1-propylpiperidine-3-carboxylic acid
CID 140349808
2-[1-(Cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
3-[1-(Cyclohex-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid
CID 61705349

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid (CID 54522340) is 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid is C=CCN1CCC(C2CC=CCC2)C(C(=O)O)C1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is YQRRLBNSDMYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-9-16-10-8-13(14(11-16)15(17)18)12-6-4-3-5-7-12/h2-4,12-14H,1,5-11H2,(H,17,18).
What are the key properties of 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid?
4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 249.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 54522340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).