1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine

C14H19F3N2O — CID 171165775

IUPAC1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCOc1cc([C@H](C)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(19-5-3-18-4-6-19)11-7-12(14(15,16)17)9-13(8-11)20-2/h7-10,18H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyCAUIJTFWZSNYKL-JTQLQIEISA-N
MW288.31 g/mol
LogP2.68
Rot. Bonds3

About 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine

1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 171165775) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID171165775
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCOc1cc([C@H](C)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(19-5-3-18-4-6-19)11-7-12(14(15,16)17)9-13(8-11)20-2/h7-10,18H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyCAUIJTFWZSNYKL-JTQLQIEISA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171172
1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171154
(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171180237
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167520
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine
CID 171167327
1-[(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171286289
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine (CID 171165775) is 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine is COc1cc([C@H](C)N2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is CAUIJTFWZSNYKL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(19-5-3-18-4-6-19)11-7-12(14(15,16)17)9-13(8-11)20-2/h7-10,18H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 171165775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).