1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane

C15H33F2N3 — CID 145259630

IUPAC1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
SMILESCC.CC.FC(F)CN1CCN(CCC2CNC2)CC1
InChIInChI=1S/C11H21F2N3.2C2H6/c12-11(13)9-16-5-3-15(4-6-16)2-1-10-7-14-8-10;2*1-2/h10-11,14H,1-9H2;2*1-2H3
InChIKeyAURQSVVSLKLLJF-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane

1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane (PubChem CID 145259630) has the molecular formula C15H33F2N3 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
PubChem CID145259630
Molecular FormulaC15H33F2N3
Molecular Weight293.45 g/mol
Exact Mass293.26
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
SMILESCC.CC.FC(F)CN1CCN(CCC2CNC2)CC1
InChIInChI=1S/C11H21F2N3.2C2H6/c12-11(13)9-16-5-3-15(4-6-16)2-1-10-7-14-8-10;2*1-2/h10-11,14H,1-9H2;2*1-2H3
InChIKeyAURQSVVSLKLLJF-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane (CID 145259630) is 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane is CC.CC.FC(F)CN1CCN(CCC2CNC2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane?
The InChIKey is AURQSVVSLKLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3.2C2H6/c12-11(13)9-16-5-3-15(4-6-16)2-1-10-7-14-8-10;2*1-2/h10-11,14H,1-9H2;2*1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane?
1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane has a molecular weight of 293.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane is sourced from PubChem (CID 145259630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).