1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine

C10H15FN2 — CID 142067409

IUPAC1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(F)/C=C\C(=C)N1CCNCC1
InChIInChI=1S/C10H15FN2/c1-9(11)3-4-10(2)13-7-5-12-6-8-13/h3-4,12H,1-2,5-8H2/b4-3-
InChIKeyKSVVOGCSYIKINC-ARJAWSKDSA-N
MW182.24 g/mol
LogP1.44
Rot. Bonds3

About 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine (PubChem CID 142067409) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
PubChem CID142067409
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(F)/C=C\C(=C)N1CCNCC1
InChIInChI=1S/C10H15FN2/c1-9(11)3-4-10(2)13-7-5-12-6-8-13/h3-4,12H,1-2,5-8H2/b4-3-
InChIKeyKSVVOGCSYIKINC-ARJAWSKDSA-N
XLogP1.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 122640398
1-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
N,1-dimethyl-6-(trifluoromethyl)-2H-pyridin-3-amine
CID 132064716
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684
1-(4-Fluorocyclohepta-1,3,5-trien-1-yl)piperazine
CID 143024284
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine (CID 142067409) is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine is C=C(F)/C=C\C(=C)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine?
The InChIKey is KSVVOGCSYIKINC-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H15FN2/c1-9(11)3-4-10(2)13-7-5-12-6-8-13/h3-4,12H,1-2,5-8H2/b4-3-.
What are the key properties of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine?
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine has a molecular weight of 182.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 142067409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).