1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine

C11H19F2N3 — CID 146013256

IUPAC1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
SMILESFC1(F)CC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C11H19F2N3/c12-11(13)5-9(6-11)15-1-3-16(4-2-15)10-7-14-8-10/h9-10,14H,1-8H2
InChIKeyZNOGIOZOXXHTIO-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.37
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine

1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine (PubChem CID 146013256) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
PubChem CID146013256
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
SMILESFC1(F)CC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C11H19F2N3/c12-11(13)5-9(6-11)15-1-3-16(4-2-15)10-7-14-8-10/h9-10,14H,1-8H2
InChIKeyZNOGIOZOXXHTIO-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorocyclobutyl)piperazine
CID 126739503
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
CID 75464903
4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane
CID 166115656
1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967528
1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
CID 66202573
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
CID 155895977
3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 169257836
1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 66204059
1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
CID 66203861
3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone
CID 129269962

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine (CID 146013256) is 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine is FC1(F)CC(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine?
The InChIKey is ZNOGIOZOXXHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c12-11(13)5-9(6-11)15-1-3-16(4-2-15)10-7-14-8-10/h9-10,14H,1-8H2.
What are the key properties of 1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine?
1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine has a molecular weight of 231.29 g/mol, XLogP of 0.37, 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-(3,3-difluorocyclobutyl)piperazine is sourced from PubChem (CID 146013256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).