1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

C14H20F3N3 — CID 173434640

IUPAC1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESCCC(N)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-2-13(18)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10,13H,2,6-9,18H2,1H3
InChIKeyDZKNQELGTJZIPE-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (PubChem CID 173434640) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
PubChem CID173434640
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESCCC(N)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-2-13(18)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10,13H,2,6-9,18H2,1H3
InChIKeyDZKNQELGTJZIPE-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
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-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(1-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18807491
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (CID 173434640) is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is CCC(N)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The InChIKey is DZKNQELGTJZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-13(18)20-8-6-19(7-9-20)12-5-3-4-11(10-12)14(15,16)17/h3-5,10,13H,2,6-9,18H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 173434640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).