1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine

C12H17F2N3 — CID 162549104

IUPAC1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
SMILESCc1nc(N2CCNCC2)ccc1C(C)(F)F
InChIInChI=1S/C12H17F2N3/c1-9-10(12(2,13)14)3-4-11(16-9)17-7-5-15-6-8-17/h3-4,15H,5-8H2,1-2H3
InChIKeyHOPLKCJGZSPWOS-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.91
Rot. Bonds2

About 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine

1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine (PubChem CID 162549104) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
PubChem CID162549104
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
SMILESCc1nc(N2CCNCC2)ccc1C(C)(F)F
InChIInChI=1S/C12H17F2N3/c1-9-10(12(2,13)14)3-4-11(16-9)17-7-5-15-6-8-17/h3-4,15H,5-8H2,1-2H3
InChIKeyHOPLKCJGZSPWOS-UHFFFAOYSA-N
XLogP1.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine (CID 162549104) is 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine is Cc1nc(N2CCNCC2)ccc1C(C)(F)F.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine?
The InChIKey is HOPLKCJGZSPWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-9-10(12(2,13)14)3-4-11(16-9)17-7-5-15-6-8-17/h3-4,15H,5-8H2,1-2H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine?
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine has a molecular weight of 241.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine is sourced from PubChem (CID 162549104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).