1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine

C14H21F2N3 — CID 79659009

IUPAC1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CN(C)CCN1C
InChIInChI=1S/C14H21F2N3/c1-17-14(11-5-4-10(15)8-12(11)16)13-9-18(2)6-7-19(13)3/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyDLBBVTLSBWDLGY-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.47
Rot. Bonds3

About 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine

1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine (PubChem CID 79659009) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
PubChem CID79659009
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CN(C)CCN1C
InChIInChI=1S/C14H21F2N3/c1-17-14(11-5-4-10(15)8-12(11)16)13-9-18(2)6-7-19(13)3/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyDLBBVTLSBWDLGY-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708352
[2-(2,5-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247218
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79973661
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 79088954
[1-(2,5-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260174

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine (CID 79659009) is 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine is CNC(c1ccc(F)cc1F)C1CN(C)CCN1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
The InChIKey is DLBBVTLSBWDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-17-14(11-5-4-10(15)8-12(11)16)13-9-18(2)6-7-19(13)3/h4-5,8,13-14,17H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine?
1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79659009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).