1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine

C11H17FN2 — CID 144995646

IUPAC1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
SMILESC=C/C(F)=C(\C=C)N1CCN(C)CC1
InChIInChI=1S/C11H17FN2/c1-4-10(12)11(5-2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b11-10-
InChIKeyYRWBZOJCCWCVOQ-KHPPLWFESA-N
MW196.27 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine

1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine (PubChem CID 144995646) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
PubChem CID144995646
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
SMILESC=C/C(F)=C(\C=C)N1CCN(C)CC1
InChIInChI=1S/C11H17FN2/c1-4-10(12)11(5-2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b11-10-
InChIKeyYRWBZOJCCWCVOQ-KHPPLWFESA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Fluorobut-2-en-2-yl)-4-methylpiperazine
CID 91515741
1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-(3-Fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
CID 123346502
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
CID 156796792

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine (CID 144995646) is 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine is C=C/C(F)=C(\C=C)N1CCN(C)CC1.
What is the InChIKey of 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine?
The InChIKey is YRWBZOJCCWCVOQ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-10(12)11(5-2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b11-10-.
What are the key properties of 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine?
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine has a molecular weight of 196.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine is sourced from PubChem (CID 144995646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).