N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine

C14H20F3N3 — CID 150897993

IUPACN-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
SMILESCNC(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-11(18-2)19-6-8-20(9-7-19)13-5-3-4-12(10-13)14(15,16)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyKZKDXGKBZOSAFE-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine

N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine (PubChem CID 150897993) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
PubChem CID150897993
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
SMILESCNC(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-11(18-2)19-6-8-20(9-7-19)13-5-3-4-12(10-13)14(15,16)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyKZKDXGKBZOSAFE-UHFFFAOYSA-N
XLogP2.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
CID 30983391
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine (CID 150897993) is N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine is CNC(C)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The InChIKey is KZKDXGKBZOSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-11(18-2)19-6-8-20(9-7-19)13-5-3-4-12(10-13)14(15,16)17/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 150897993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).