[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate

C20H23F2N3O2 — CID 69015260

IUPAC[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2ccc(F)cc2F)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-10-8-23-9-11-25)13-15-4-3-5-18(24-15)16-7-6-14(21)12-17(16)22/h3-7,12,23H,8-11,13H2,1-2H3
InChIKeyKWYVYZLOBFKKCR-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.39
Rot. Bonds4

About [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate

[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate (PubChem CID 69015260) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
PubChem CID69015260
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2ccc(F)cc2F)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-10-8-23-9-11-25)13-15-4-3-5-18(24-15)16-7-6-14(21)12-17(16)22/h3-7,12,23H,8-11,13H2,1-2H3
InChIKeyKWYVYZLOBFKKCR-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The IUPAC name of [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate (CID 69015260) is [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The canonical SMILES for [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate is CC(C)(Cc1cccc(-c2ccc(F)cc2F)n1)OC(=O)N1CCNCC1.
What is the InChIKey of [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The InChIKey is KWYVYZLOBFKKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-10-8-23-9-11-25)13-15-4-3-5-18(24-15)16-7-6-14(21)12-17(16)22/h3-7,12,23H,8-11,13H2,1-2H3.
What are the key properties of [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate is sourced from PubChem (CID 69015260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).