(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C15H24FN3 — CID 106881778

IUPAC(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CN(C)CCN2C)c(F)c1
InChIInChI=1S/C15H24FN3/c1-10-7-11(2)14(12(16)8-10)15(17)13-9-18(3)5-6-19(13)4/h7-8,13,15H,5-6,9,17H2,1-4H3
InChIKeyPFMIDDMMEFJIEE-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.69
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881778) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881778
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CN(C)CCN2C)c(F)c1
InChIInChI=1S/C15H24FN3/c1-10-7-11(2)14(12(16)8-10)15(17)13-9-18(3)5-6-19(13)4/h7-8,13,15H,5-6,9,17H2,1-4H3
InChIKeyPFMIDDMMEFJIEE-UHFFFAOYSA-N
XLogP1.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.69
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
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
tert-butyl 3-[amino-(2-fluoro-4,6-dimethylphenyl)methyl]pyrrolidine-1-carboxylate
CID 107092794
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 106883693
(3-bromo-2,6-difluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 106942947
(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 79659157
(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881778) is (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CN(C)CCN2C)c(F)c1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is PFMIDDMMEFJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-10-7-11(2)14(12(16)8-10)15(17)13-9-18(3)5-6-19(13)4/h7-8,13,15H,5-6,9,17H2,1-4H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).