1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine

C10H20F2N2 — CID 48942244

IUPAC1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N2/c1-9(2)7-13-3-5-14(6-4-13)8-10(11)12/h9-10H,3-8H2,1-2H3
InChIKeyWDXIVNVQWYORGA-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.53
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine

1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine (PubChem CID 48942244) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine
PubChem CID48942244
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N2/c1-9(2)7-13-3-5-14(6-4-13)8-10(11)12/h9-10H,3-8H2,1-2H3
InChIKeyWDXIVNVQWYORGA-UHFFFAOYSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine (CID 48942244) is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine?
The InChIKey is WDXIVNVQWYORGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-9(2)7-13-3-5-14(6-4-13)8-10(11)12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine?
1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine has a molecular weight of 206.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 48942244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).