1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine

C10H20F2N2 — CID 155118393

IUPAC1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine
SMILESCN1CC(F)N(CC(C)(C)C)CC1F
InChIInChI=1S/C10H20F2N2/c1-10(2,3)7-14-6-8(11)13(4)5-9(14)12/h8-9H,5-7H2,1-4H3
InChIKeyMYWZUKWYUSVMCJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.87
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine

1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine (PubChem CID 155118393) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine
PubChem CID155118393
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine
SMILESCN1CC(F)N(CC(C)(C)C)CC1F
InChIInChI=1S/C10H20F2N2/c1-10(2,3)7-14-6-8(11)13(4)5-9(14)12/h8-9H,5-7H2,1-4H3
InChIKeyMYWZUKWYUSVMCJ-UHFFFAOYSA-N
XLogP1.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine (CID 155118393) is 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine is CN1CC(F)N(CC(C)(C)C)CC1F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine?
The InChIKey is MYWZUKWYUSVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-10(2,3)7-14-6-8(11)13(4)5-9(14)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine?
1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine has a molecular weight of 206.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine is sourced from PubChem (CID 155118393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).