1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

C16H22ClFN2 — CID 64934912

IUPAC1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cccc(Cl)c1F
InChIInChI=1S/C16H22ClFN2/c1-3-12-9-19-16(2,11-7-8-11)10-20(12)14-6-4-5-13(17)15(14)18/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeySVSZVKNKOHQHBJ-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (PubChem CID 64934912) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
PubChem CID64934912
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cccc(Cl)c1F
InChIInChI=1S/C16H22ClFN2/c1-3-12-9-19-16(2,11-7-8-11)10-20(12)14-6-4-5-13(17)15(14)18/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeySVSZVKNKOHQHBJ-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935490
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (CID 64934912) is 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The InChIKey is SVSZVKNKOHQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-3-12-9-19-16(2,11-7-8-11)10-20(12)14-6-4-5-13(17)15(14)18/h4-6,11-12,19H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine has a molecular weight of 296.82 g/mol, XLogP of 3.84, 3 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-cyclopropyl-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64934912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).