1-(4-fluorophenyl)-3,3-dimethylpiperazine

C12H17FN2 — CID 57276719

IUPAC1-(4-fluorophenyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C12H17FN2/c1-12(2)9-15(8-7-14-12)11-5-3-10(13)4-6-11/h3-6,14H,7-9H2,1-2H3
InChIKeyIGYKBURELAZNQI-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.01
Rot. Bonds1

About 1-(4-fluorophenyl)-3,3-dimethylpiperazine

1-(4-fluorophenyl)-3,3-dimethylpiperazine (PubChem CID 57276719) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,3-dimethylpiperazine
PubChem CID57276719
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(4-fluorophenyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C12H17FN2/c1-12(2)9-15(8-7-14-12)11-5-3-10(13)4-6-11/h3-6,14H,7-9H2,1-2H3
InChIKeyIGYKBURELAZNQI-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3,3-dimethylpiperazine 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-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
N-Butylaniline
CID 14310
1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
1-(3-Fluorophenyl)piperazine
CID 77418

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-3,3-dimethylpiperazine (CID 57276719) is 1-(4-fluorophenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-3,3-dimethylpiperazine is CC1(C)CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-(4-fluorophenyl)-3,3-dimethylpiperazine?
The InChIKey is IGYKBURELAZNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2)9-15(8-7-14-12)11-5-3-10(13)4-6-11/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,3-dimethylpiperazine?
1-(4-fluorophenyl)-3,3-dimethylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 57276719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).