4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine

C14H20BrF2N3 — CID 133452010

IUPAC4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine
SMILESCCC1CN(c2ccc(Br)c(C)n2)CCN1CC(F)F
InChIInChI=1S/C14H20BrF2N3/c1-3-11-8-20(7-6-19(11)9-13(16)17)14-5-4-12(15)10(2)18-14/h4-5,11,13H,3,6-9H2,1-2H3
InChIKeyLXJLHBIFMOPBEF-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.32
Rot. Bonds4

About 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine

4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine (PubChem CID 133452010) has the molecular formula C14H20BrF2N3 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine
PubChem CID133452010
Molecular FormulaC14H20BrF2N3
Molecular Weight348.24 g/mol
Exact Mass347.08
IUPAC Name4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine
SMILESCCC1CN(c2ccc(Br)c(C)n2)CCN1CC(F)F
InChIInChI=1S/C14H20BrF2N3/c1-3-11-8-20(7-6-19(11)9-13(16)17)14-5-4-12(15)10(2)18-14/h4-5,11,13H,3,6-9H2,1-2H3
InChIKeyLXJLHBIFMOPBEF-UHFFFAOYSA-N
XLogP3.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine?
The IUPAC name of 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine (CID 133452010) is 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine.
What is the SMILES notation for 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine?
The canonical SMILES for 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine is CCC1CN(c2ccc(Br)c(C)n2)CCN1CC(F)F.
What is the InChIKey of 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine?
The InChIKey is LXJLHBIFMOPBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N3/c1-3-11-8-20(7-6-19(11)9-13(16)17)14-5-4-12(15)10(2)18-14/h4-5,11,13H,3,6-9H2,1-2H3.
What are the key properties of 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine?
4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine has a molecular weight of 348.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine is sourced from PubChem (CID 133452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).