1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine

C14H19F2N3 — CID 66203000

IUPAC1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
SMILESFc1ccc(CN2CC(N3CCNCC3)C2)c(F)c1
InChIInChI=1S/C14H19F2N3/c15-12-2-1-11(14(16)7-12)8-18-9-13(10-18)19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8-10H2
InChIKeyIENOJRKILZIWLR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.05
Rot. Bonds3

About 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine

1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine (PubChem CID 66203000) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
PubChem CID66203000
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
SMILESFc1ccc(CN2CC(N3CCNCC3)C2)c(F)c1
InChIInChI=1S/C14H19F2N3/c15-12-2-1-11(14(16)7-12)8-18-9-13(10-18)19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8-10H2
InChIKeyIENOJRKILZIWLR-UHFFFAOYSA-N
XLogP1.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
1-[1-[(3,4,5-trifluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66202797
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967780
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
CID 66202420
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine (CID 66203000) is 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine is Fc1ccc(CN2CC(N3CCNCC3)C2)c(F)c1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is IENOJRKILZIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c15-12-2-1-11(14(16)7-12)8-18-9-13(10-18)19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8-10H2.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine has a molecular weight of 267.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66203000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).