1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid

C13H20N2O2 — CID 145198310

IUPAC1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid
SMILESC=C(/C=N/C(C)=C\C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H20N2O2/c1-4-10(2)14-9-11(3)15-7-5-12(6-8-15)13(16)17/h4,9,12H,3,5-8H2,1-2H3,(H,16,17)/b10-4-,14-9+
InChIKeyJZXVYDJRWCJDSN-JMFSVDGHSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds4

About 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid

1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid (PubChem CID 145198310) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid
PubChem CID145198310
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid
SMILESC=C(/C=N/C(C)=C\C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H20N2O2/c1-4-10(2)14-9-11(3)15-7-5-12(6-8-15)13(16)17/h4,9,12H,3,5-8H2,1-2H3,(H,16,17)/b10-4-,14-9+
InChIKeyJZXVYDJRWCJDSN-JMFSVDGHSA-N
XLogP2.29
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
CID 59639391
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
1-[3-[(Z)-but-2-en-2-yl]iminopropyl]pyrrolidine-3-carboxylic acid
CID 145198424
piperidine-1,4-dicarboxylic acid
CID 18542445
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
1-prop-1-enylpiperidine-4-carboxylic acid
CID 59113362
2-(1-acetylpiperidin-4-yl)prop-2-enal
CID 45119214
1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
CID 108914589
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid (CID 145198310) is 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid is C=C(/C=N/C(C)=C\C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid?
The InChIKey is JZXVYDJRWCJDSN-JMFSVDGHSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(2)14-9-11(3)15-7-5-12(6-8-15)13(16)17/h4,9,12H,3,5-8H2,1-2H3,(H,16,17)/b10-4-,14-9+.
What are the key properties of 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid?
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 145198310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).