1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

C12H16FN3 — CID 2343467

IUPAC1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2ccccc2F)CC1
InChIInChI=1S/C12H16FN3/c1-15-6-8-16(9-7-15)14-10-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyTZELVFPVVRYRCX-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.41
Rot. Bonds2

About 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 2343467) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID2343467
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(N=Cc2ccccc2F)CC1
InChIInChI=1S/C12H16FN3/c1-15-6-8-16(9-7-15)14-10-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyTZELVFPVVRYRCX-UHFFFAOYSA-N
XLogP1.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-Benzyl-piperazin-1-yl)-(4-fluoro-benzylidene)-amine
CID 5342960
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)methanimine
CID 9642770
(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
CID 6906562
(E)-N-(4-Methylpiperazin-1-yl)-1-(4-phenylphenyl)methanimine
CID 9612619
N-(3-Fluorobenzylidene)-4-(4-methylbenzyl)-1-piperazinamine
CID 5347896
4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzonitrile;hydrochloride
CID 16239510
Benzaldehyde N,N-dimethylhydrazone
CID 9569654
(E)-1-Phenyl-N-(piperidin-1-yl)methanimine
CID 12325722
4-Benzyl-N-(3-fluorobenzylidene)-1-piperazinamine
CID 6890564
1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
CID 2488349
N-[(E)-(4-fluorophenyl)methylideneamino]-N-methylmethanamine
CID 9637954
N-[(E)-(2,3-difluorophenyl)methylideneamino]-N-methylmethanamine
CID 16087650

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 2343467) is 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(N=Cc2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is TZELVFPVVRYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-15-6-8-16(9-7-15)14-10-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 221.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 2343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).