1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine

C17H24ClFN2 — CID 64935682

IUPAC1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine
SMILESCC1CNC(C2CCCCC2)CN1c1cccc(Cl)c1F
InChIInChI=1S/C17H24ClFN2/c1-12-10-20-15(13-6-3-2-4-7-13)11-21(12)16-9-5-8-14(18)17(16)19/h5,8-9,12-13,15,20H,2-4,6-7,10-11H2,1H3
InChIKeyMGADIGVZJIFIJS-UHFFFAOYSA-N
MW310.84 g/mol
LogP4.23
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine

1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine (PubChem CID 64935682) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine
PubChem CID64935682
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine
SMILESCC1CNC(C2CCCCC2)CN1c1cccc(Cl)c1F
InChIInChI=1S/C17H24ClFN2/c1-12-10-20-15(13-6-3-2-4-7-13)11-21(12)16-9-5-8-14(18)17(16)19/h5,8-9,12-13,15,20H,2-4,6-7,10-11H2,1H3
InChIKeyMGADIGVZJIFIJS-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
5-cyclohexyl-1-(2,5-dimethylphenyl)-2-methylpiperazine
CID 64931343
5-cyclohexyl-2-methyl-1-pyridin-3-ylpiperazine
CID 64930554
1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 64933898
5-cyclopropyl-1-(2,6-dibromophenyl)-2-methylpiperazine
CID 107603836
5-cyclopropyl-1-(2,4-dimethylphenyl)-2-methylpiperazine
CID 64930667
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
CID 64924730
1-(4-bromo-2,5-difluorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 107608147
5-cyclopropyl-1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64932759
1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
CID 82758492
5-cyclopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64932560
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine (CID 64935682) is 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine is CC1CNC(C2CCCCC2)CN1c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine?
The InChIKey is MGADIGVZJIFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-12-10-20-15(13-6-3-2-4-7-13)11-21(12)16-9-5-8-14(18)17(16)19/h5,8-9,12-13,15,20H,2-4,6-7,10-11H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine?
1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-cyclohexyl-2-methylpiperazine is sourced from PubChem (CID 64935682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).