1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine

C13H16ClF3N2 — CID 64926252

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2cc(C(F)(F)F)ccc2Cl)CCN1
InChIInChI=1S/C13H16ClF3N2/c1-12(2)8-19(6-5-18-12)11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyQKWZIICQYCHHKN-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.55
Rot. Bonds1

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine

1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine (PubChem CID 64926252) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
PubChem CID64926252
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2cc(C(F)(F)F)ccc2Cl)CCN1
InChIInChI=1S/C13H16ClF3N2/c1-12(2)8-19(6-5-18-12)11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyQKWZIICQYCHHKN-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine (CID 64926252) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine is CC1(C)CN(c2cc(C(F)(F)F)ccc2Cl)CCN1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine?
The InChIKey is QKWZIICQYCHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-12(2)8-19(6-5-18-12)11-7-9(13(15,16)17)3-4-10(11)14/h3-4,7,18H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine?
1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine has a molecular weight of 292.73 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 64926252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).