1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine

C12H14ClF3N2 — CID 116700925

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESCC1CN(c2cc(Cl)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C12H14ClF3N2/c1-8-7-18(3-2-17-8)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17H,2-3,7H2,1H3
InChIKeyREHCZFVCZHYVMA-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.16
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine

1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine (PubChem CID 116700925) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
PubChem CID116700925
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESCC1CN(c2cc(Cl)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C12H14ClF3N2/c1-8-7-18(3-2-17-8)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17H,2-3,7H2,1H3
InChIKeyREHCZFVCZHYVMA-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethyl-1,4-diazepane
CID 116700942
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 66477775
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
CID 79047451
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
1,1,1,3,3,3-hexafluoro-2-[4-[(3R)-3-methylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670311
(3R)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 7225561
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane
CID 64943950
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 116700143
1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine
CID 83081604

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine (CID 116700925) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine is CC1CN(c2cc(Cl)cc(C(F)(F)F)c2)CCN1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine?
The InChIKey is REHCZFVCZHYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c1-8-7-18(3-2-17-8)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17H,2-3,7H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine?
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine has a molecular weight of 278.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine is sourced from PubChem (CID 116700925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).