[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine

C13H19F2N3 — CID 114086254

IUPAC[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
SMILESCC1CN(C)CCN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H19F2N3/c1-9-8-17(2)3-4-18(9)13-11(14)5-10(7-16)6-12(13)15/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyBDQXINFYIDVVMG-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.56
Rot. Bonds2

About [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine

[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine (PubChem CID 114086254) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
PubChem CID114086254
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
SMILESCC1CN(C)CCN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H19F2N3/c1-9-8-17(2)3-4-18(9)13-11(14)5-10(7-16)6-12(13)15/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyBDQXINFYIDVVMG-UHFFFAOYSA-N
XLogP1.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 63051426
[4-[4-(aminomethyl)-2,6-difluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204114
[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63051244
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
CID 63783744
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386
1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 177274253
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
2-amino-5-(2,4-dimethylpiperazin-1-yl)-4-fluorobenzoic acid
CID 114087285
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
CID 63077484

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine (CID 114086254) is [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine is CC1CN(C)CCN1c1c(F)cc(CN)cc1F.
What is the InChIKey of [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The InChIKey is BDQXINFYIDVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-9-8-17(2)3-4-18(9)13-11(14)5-10(7-16)6-12(13)15/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
[4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpiperazin-1-yl)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 114086254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).