1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine

C14H20F3N3 — CID 177040771

IUPAC1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
SMILESCCCc1c(N2CCNCC2)cc(C(F)(F)F)nc1C
InChIInChI=1S/C14H20F3N3/c1-3-4-11-10(2)19-13(14(15,16)17)9-12(11)20-7-5-18-6-8-20/h9,18H,3-8H2,1-2H3
InChIKeyXOVZQJIJBCDYLG-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine

1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine (PubChem CID 177040771) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
PubChem CID177040771
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
SMILESCCCc1c(N2CCNCC2)cc(C(F)(F)F)nc1C
InChIInChI=1S/C14H20F3N3/c1-3-4-11-10(2)19-13(14(15,16)17)9-12(11)20-7-5-18-6-8-20/h9,18H,3-8H2,1-2H3
InChIKeyXOVZQJIJBCDYLG-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
CID 150127327
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 19621605
2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 82096911
4-(1,4-diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline
CID 2774817
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
CID 177040895
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
4-piperazin-1-yl-2-propyl-8-(trifluoromethoxy)quinoline;hydrochloride
CID 121236574
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine?
The IUPAC name of 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine (CID 177040771) is 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine?
The canonical SMILES for 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine is CCCc1c(N2CCNCC2)cc(C(F)(F)F)nc1C.
What is the InChIKey of 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine?
The InChIKey is XOVZQJIJBCDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-4-11-10(2)19-13(14(15,16)17)9-12(11)20-7-5-18-6-8-20/h9,18H,3-8H2,1-2H3.
What are the key properties of 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine?
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine has a molecular weight of 287.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine is sourced from PubChem (CID 177040771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).