1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine

C14H19F3N2O2 — CID 117489558

IUPAC1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C14H19F3N2O2/c1-20-12-7-10(9-19-5-3-18-4-6-19)11(14(15,16)17)8-13(12)21-2/h7-8,18H,3-6,9H2,1-2H3
InChIKeyQPXCQMPYEPUAKZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.13
Rot. Bonds4

About 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine

1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 117489558) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID117489558
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C14H19F3N2O2/c1-20-12-7-10(9-19-5-3-18-4-6-19)11(14(15,16)17)8-13(12)21-2/h7-8,18H,3-6,9H2,1-2H3
InChIKeyQPXCQMPYEPUAKZ-UHFFFAOYSA-N
XLogP2.13
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117442103
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 117489558) is 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine is COc1cc(CN2CCNCC2)c(C(F)(F)F)cc1OC.
What is the InChIKey of 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is QPXCQMPYEPUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-20-12-7-10(9-19-5-3-18-4-6-19)11(14(15,16)17)8-13(12)21-2/h7-8,18H,3-6,9H2,1-2H3.
What are the key properties of 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 304.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117489558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).