(Z)-octadec-9-enoic acid;piperazine

C22H44N2O2 — CID 173188971

IUPAC(Z)-octadec-9-enoic acid;piperazine
SMILESC1CNCCN1.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-4-3-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4H2/b10-9-;
InChIKeyKCVRZWWZCKENKQ-KVVVOXFISA-N
MW368.61 g/mol
LogP5.29
Rot. Bonds15

About (Z)-octadec-9-enoic acid;piperazine

(Z)-octadec-9-enoic acid;piperazine (PubChem CID 173188971) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (Z)-octadec-9-enoic acid;piperazine.

Molecular Properties

Compound Name(Z)-octadec-9-enoic acid;piperazine
PubChem CID173188971
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name(Z)-octadec-9-enoic acid;piperazine
SMILESC1CNCCN1.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-4-3-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4H2/b10-9-;
InChIKeyKCVRZWWZCKENKQ-KVVVOXFISA-N
XLogP5.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-octadec-9-enoic acid;piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoic acid;piperazine?
The IUPAC name of (Z)-octadec-9-enoic acid;piperazine (CID 173188971) is (Z)-octadec-9-enoic acid;piperazine.
What is the SMILES notation for (Z)-octadec-9-enoic acid;piperazine?
The canonical SMILES for (Z)-octadec-9-enoic acid;piperazine is C1CNCCN1.CCCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-octadec-9-enoic acid;piperazine?
The InChIKey is KCVRZWWZCKENKQ-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-4-3-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4H2/b10-9-;.
What are the key properties of (Z)-octadec-9-enoic acid;piperazine?
(Z)-octadec-9-enoic acid;piperazine has a molecular weight of 368.61 g/mol, XLogP of 5.29, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoic acid;piperazine is sourced from PubChem (CID 173188971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).