1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine

C9H16F3N3 — CID 62967528

IUPAC1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)7-14-1-3-15(4-2-14)8-5-13-6-8/h8,13H,1-7H2
InChIKeyAYFVKJDNOCTVRA-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.14
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine

1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 62967528) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID62967528
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)7-14-1-3-15(4-2-14)8-5-13-6-8/h8,13H,1-7H2
InChIKeyAYFVKJDNOCTVRA-UHFFFAOYSA-N
XLogP0.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
CID 66202573
1-(azetidin-3-yl)-4-(2-cyclopropylethyl)piperazine
CID 66203927
1-[4-(azetidin-3-yl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 66203303
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384
2-[4-(azetidin-3-yl)piperazin-1-yl]acetonitrile
CID 66201987
1-(azetidin-3-yl)-4-(cyclopentylmethyl)piperazine
CID 66201359
1-(azetidin-3-yl)-4-(cyclobutylmethyl)piperazine
CID 66203334
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
CID 114271372
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
CID 81093537

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine (CID 62967528) is 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is AYFVKJDNOCTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c10-9(11,12)7-14-1-3-15(4-2-14)8-5-13-6-8/h8,13H,1-7H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 223.24 g/mol, XLogP of 0.14, 2 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-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 62967528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).