1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid

C11H18N2O2 — CID 114620582

IUPAC1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C1C=CCCC1
InChIInChI=1S/C11H18N2O2/c14-11(15)10-8-12-6-7-13(10)9-4-2-1-3-5-9/h2,4,9-10,12H,1,3,5-8H2,(H,14,15)
InChIKeyUDROBWYGNHUHCU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.45
Rot. Bonds2

About 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid

1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid (PubChem CID 114620582) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
PubChem CID114620582
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C1C=CCCC1
InChIInChI=1S/C11H18N2O2/c14-11(15)10-8-12-6-7-13(10)9-4-2-1-3-5-9/h2,4,9-10,12H,1,3,5-8H2,(H,14,15)
InChIKeyUDROBWYGNHUHCU-UHFFFAOYSA-N
XLogP0.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 23293721
1-cyclohex-2-en-1-ylpiperidine-4-carboxamide
CID 171914153
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
1-methyl-1,4-diazepane-2-carboxylic acid
CID 23090542
1-piperazin-1-ylpiperazine-2-carboxylic acid
CID 175298820
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid (CID 114620582) is 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid is O=C(O)C1CNCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid?
The InChIKey is UDROBWYGNHUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(15)10-8-12-6-7-13(10)9-4-2-1-3-5-9/h2,4,9-10,12H,1,3,5-8H2,(H,14,15).
What are the key properties of 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid?
1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 114620582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).