1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine

C17H26F2N2 — CID 116790807

IUPAC1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC(F)(F)c2ccccc2)C(C)CN1
InChIInChI=1S/C17H26F2N2/c1-13(2)9-16-11-21(14(3)10-20-16)12-17(18,19)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3
InChIKeyINACDCQMCQXAKM-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 116790807) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID116790807
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC(F)(F)c2ccccc2)C(C)CN1
InChIInChI=1S/C17H26F2N2/c1-13(2)9-16-11-21(14(3)10-20-16)12-17(18,19)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3
InChIKeyINACDCQMCQXAKM-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 116790807) is 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(CC(F)(F)c2ccccc2)C(C)CN1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is INACDCQMCQXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-13(2)9-16-11-21(14(3)10-20-16)12-17(18,19)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 296.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 116790807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).