1-deuterio-4-(2,4-difluorophenyl)piperazine

C10H12F2N2 — CID 175828610

IUPAC1-deuterio-4-(2,4-difluorophenyl)piperazine
SMILES[2H]N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/i/hD
InChIKeyCMCSPBOWEYUGHB-DYCDLGHISA-N
MW199.22 g/mol
LogP1.37
Rot. Bonds1

About 1-deuterio-4-(2,4-difluorophenyl)piperazine

1-deuterio-4-(2,4-difluorophenyl)piperazine (PubChem CID 175828610) has the molecular formula C10H12F2N2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-deuterio-4-(2,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-deuterio-4-(2,4-difluorophenyl)piperazine
PubChem CID175828610
Molecular FormulaC10H12F2N2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name1-deuterio-4-(2,4-difluorophenyl)piperazine
SMILES[2H]N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/i/hD
InChIKeyCMCSPBOWEYUGHB-DYCDLGHISA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4-(2,4-difluorophenyl)piperazine?
The IUPAC name of 1-deuterio-4-(2,4-difluorophenyl)piperazine (CID 175828610) is 1-deuterio-4-(2,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-deuterio-4-(2,4-difluorophenyl)piperazine?
The canonical SMILES for 1-deuterio-4-(2,4-difluorophenyl)piperazine is [2H]N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-deuterio-4-(2,4-difluorophenyl)piperazine?
The InChIKey is CMCSPBOWEYUGHB-DYCDLGHISA-N. The full InChI is InChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/i/hD.
What are the key properties of 1-deuterio-4-(2,4-difluorophenyl)piperazine?
1-deuterio-4-(2,4-difluorophenyl)piperazine has a molecular weight of 199.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4-(2,4-difluorophenyl)piperazine is sourced from PubChem (CID 175828610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).