1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

C15H20F3N3 — CID 66202708

IUPAC1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(CN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-3-1-2-12(8-13)11-20-4-6-21(7-5-20)14-9-19-10-14/h1-3,8,14,19H,4-7,9-11H2
InChIKeyJSBZHBPNYIRHCV-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.79
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 66202708) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID66202708
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(CN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)13-3-1-2-12(8-13)11-20-4-6-21(7-5-20)14-9-19-10-14/h1-3,8,14,19H,4-7,9-11H2
InChIKeyJSBZHBPNYIRHCV-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
1-[3-(azetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 68784920

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 66202708) is 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cccc(CN2CCN(C3CNC3)CC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is JSBZHBPNYIRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)13-3-1-2-12(8-13)11-20-4-6-21(7-5-20)14-9-19-10-14/h1-3,8,14,19H,4-7,9-11H2.
What are the key properties of 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 299.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 66202708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).