4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine

C16H22ClF3N2 — CID 22345172

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine
SMILESCCCN1C(C)CN(c2ccc(Cl)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C16H22ClF3N2/c1-4-7-22-11(2)9-21(10-12(22)3)13-5-6-15(17)14(8-13)16(18,19)20/h5-6,8,11-12H,4,7,9-10H2,1-3H3
InChIKeyVKGMIULVHWKIBM-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.67
Rot. Bonds3

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine

4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine (PubChem CID 22345172) has the molecular formula C16H22ClF3N2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine
PubChem CID22345172
Molecular FormulaC16H22ClF3N2
Molecular Weight334.81 g/mol
Exact Mass334.14
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine
SMILESCCCN1C(C)CN(c2ccc(Cl)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C16H22ClF3N2/c1-4-7-22-11(2)9-21(10-12(22)3)13-5-6-15(17)14(8-13)16(18,19)20/h5-6,8,11-12H,4,7,9-10H2,1-3H3
InChIKeyVKGMIULVHWKIBM-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine (CID 22345172) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine is CCCN1C(C)CN(c2ccc(Cl)c(C(F)(F)F)c2)CC1C.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine?
The InChIKey is VKGMIULVHWKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N2/c1-4-7-22-11(2)9-21(10-12(22)3)13-5-6-15(17)14(8-13)16(18,19)20/h5-6,8,11-12H,4,7,9-10H2,1-3H3.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine?
4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine has a molecular weight of 334.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-1-propylpiperazine is sourced from PubChem (CID 22345172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).