1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H21F3N4 — CID 102708352

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)C1CN(C)CCN1C
InChIInChI=1S/C14H21F3N4/c1-18-13(12-9-20(2)6-7-21(12)3)10-8-19-5-4-11(10)14(15,16)17/h4-5,8,12-13,18H,6-7,9H2,1-3H3
InChIKeyRBJDVSLXWBENNK-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.61
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708352) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708352
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)C1CN(C)CCN1C
InChIInChI=1S/C14H21F3N4/c1-18-13(12-9-20(2)6-7-21(12)3)10-8-19-5-4-11(10)14(15,16)17/h4-5,8,12-13,18H,6-7,9H2,1-3H3
InChIKeyRBJDVSLXWBENNK-UHFFFAOYSA-N
XLogP1.61
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707853
1-(2,4-difluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 79659009
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708320
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79092957
N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708352) is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cnccc1C(F)(F)F)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is RBJDVSLXWBENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-18-13(12-9-20(2)6-7-21(12)3)10-8-19-5-4-11(10)14(15,16)17/h4-5,8,12-13,18H,6-7,9H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).