2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline

C15H16F3N3 — CID 121236001

IUPAC2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
SMILESCc1cc(N2CCNCC2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H16F3N3/c1-10-8-14(21-6-4-19-5-7-21)12-9-11(15(16,17)18)2-3-13(12)20-10/h2-3,8-9,19H,4-7H2,1H3
InChIKeyVFZXLNFMXUNSGN-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline

2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline (PubChem CID 121236001) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
PubChem CID121236001
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
SMILESCc1cc(N2CCNCC2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H16F3N3/c1-10-8-14(21-6-4-19-5-7-21)12-9-11(15(16,17)18)2-3-13(12)20-10/h2-3,8-9,19H,4-7H2,1H3
InChIKeyVFZXLNFMXUNSGN-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 155914575
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
CID 69163017
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
CID 134713018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline (CID 121236001) is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline is Cc1cc(N2CCNCC2)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline?
The InChIKey is VFZXLNFMXUNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-8-14(21-6-4-19-5-7-21)12-9-11(15(16,17)18)2-3-13(12)20-10/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline?
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline has a molecular weight of 295.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 121236001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).