1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine

C11H15F2N3 — CID 178131824

IUPAC1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine
SMILESCc1ccc(N2CCNCC2)c(C(F)F)n1
InChIInChI=1S/C11H15F2N3/c1-8-2-3-9(10(15-8)11(12)13)16-6-4-14-5-7-16/h2-3,11,14H,4-7H2,1H3
InChIKeyYBVUMSNVTGBKTQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.74
Rot. Bonds2

About 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine

1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine (PubChem CID 178131824) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine
PubChem CID178131824
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine
SMILESCc1ccc(N2CCNCC2)c(C(F)F)n1
InChIInChI=1S/C11H15F2N3/c1-8-2-3-9(10(15-8)11(12)13)16-6-4-14-5-7-16/h2-3,11,14H,4-7H2,1H3
InChIKeyYBVUMSNVTGBKTQ-UHFFFAOYSA-N
XLogP1.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(difluoromethyl)-2-methyl-3-pyridinyl]piperazine
CID 175560034
1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
CID 115033526
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
1-(4-ethyl-2,3-dimethylphenyl)piperazine
CID 138531661
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine
CID 170981447
1-[2-bromo-4-(1-fluoroethyl)phenyl]-1,4-diazepane
CID 115053441
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine?
The IUPAC name of 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine (CID 178131824) is 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine?
The canonical SMILES for 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine is Cc1ccc(N2CCNCC2)c(C(F)F)n1.
What is the InChIKey of 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine?
The InChIKey is YBVUMSNVTGBKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-8-2-3-9(10(15-8)11(12)13)16-6-4-14-5-7-16/h2-3,11,14H,4-7H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine?
1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine has a molecular weight of 227.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine is sourced from PubChem (CID 178131824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).