1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine

C13H19FN2 — CID 115033526

IUPAC1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
SMILESCc1cc(C(C)F)ccc1N1CCNCC1
InChIInChI=1S/C13H19FN2/c1-10-9-12(11(2)14)3-4-13(10)16-7-5-15-6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyISMNNGLSPAXFDZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.44
Rot. Bonds2

About 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine

1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine (PubChem CID 115033526) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
PubChem CID115033526
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
SMILESCc1cc(C(C)F)ccc1N1CCNCC1
InChIInChI=1S/C13H19FN2/c1-10-9-12(11(2)14)3-4-13(10)16-7-5-15-6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyISMNNGLSPAXFDZ-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
1-[2-bromo-4-(1-fluoroethyl)phenyl]-1,4-diazepane
CID 115053441
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine
CID 178131824
1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine
CID 173108524
N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
CID 138530542
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373
1-(4-butan-2-yloxy-2-methylphenyl)-1,4-diazepane
CID 83135207
4-(1,4-diazepan-1-yl)-3-methylbenzoic acid
CID 63212719
1-[6-(difluoromethyl)-2-methyl-3-pyridinyl]piperazine
CID 175560034
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine?
The IUPAC name of 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine (CID 115033526) is 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine?
The canonical SMILES for 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine is Cc1cc(C(C)F)ccc1N1CCNCC1.
What is the InChIKey of 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine?
The InChIKey is ISMNNGLSPAXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-9-12(11(2)14)3-4-13(10)16-7-5-15-6-8-16/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine?
1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine is sourced from PubChem (CID 115033526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).