1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine

C13H18ClFN2 — CID 64948360

IUPAC1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2/c1-9-7-16-13(2,3)8-17(9)12-5-4-10(14)6-11(12)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKGTIKSKIWREDCK-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.06
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine

1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine (PubChem CID 64948360) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
PubChem CID64948360
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2/c1-9-7-16-13(2,3)8-17(9)12-5-4-10(14)6-11(12)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyKGTIKSKIWREDCK-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2,5,5-trimethylpiperazine
CID 64935835
2,5,5-trimethyl-1-(2,3,4-trifluorophenyl)piperazine
CID 64931376
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 112734719
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64935468
1-(2-chloro-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64936201
1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 82759229
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
CID 106760852
1-(4-iodophenyl)-2,5,5-trimethylpiperazine
CID 64935112

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine (CID 64948360) is 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine?
The InChIKey is KGTIKSKIWREDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-7-16-13(2,3)8-17(9)12-5-4-10(14)6-11(12)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine?
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine has a molecular weight of 256.75 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64948360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).