1-hept-6-enylpiperazine-2-carboxylic acid

C12H22N2O2 — CID 107008029

IUPAC1-hept-6-enylpiperazine-2-carboxylic acid
SMILESC=CCCCCCN1CCNCC1C(=O)O
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-6-8-14-9-7-13-10-11(14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16)
InChIKeyRZPNEBAPONLIRB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.09
Rot. Bonds7

About 1-hept-6-enylpiperazine-2-carboxylic acid

1-hept-6-enylpiperazine-2-carboxylic acid (PubChem CID 107008029) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-hept-6-enylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-hept-6-enylpiperazine-2-carboxylic acid
PubChem CID107008029
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-hept-6-enylpiperazine-2-carboxylic acid
SMILESC=CCCCCCN1CCNCC1C(=O)O
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-6-8-14-9-7-13-10-11(14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16)
InChIKeyRZPNEBAPONLIRB-UHFFFAOYSA-N
XLogP1.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-hept-6-enylpiperazine-2-carboxylate
CID 107008028
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid
CID 141112718
1-oct-7-enylpiperazine
CID 67041339
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
(3S)-2-hept-6-enyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 107007899
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enylpiperazine-2-carboxylic acid?
The IUPAC name of 1-hept-6-enylpiperazine-2-carboxylic acid (CID 107008029) is 1-hept-6-enylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-hept-6-enylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-hept-6-enylpiperazine-2-carboxylic acid is C=CCCCCCN1CCNCC1C(=O)O.
What is the InChIKey of 1-hept-6-enylpiperazine-2-carboxylic acid?
The InChIKey is RZPNEBAPONLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-5-6-8-14-9-7-13-10-11(14)12(15)16/h2,11,13H,1,3-10H2,(H,15,16).
What are the key properties of 1-hept-6-enylpiperazine-2-carboxylic acid?
1-hept-6-enylpiperazine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylpiperazine-2-carboxylic acid is sourced from PubChem (CID 107008029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).