3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine

C16H24F2N2 — CID 116790757

IUPAC3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
SMILESCC(C)(C)C1CN(CC(F)(F)c2ccccc2)CCN1
InChIInChI=1S/C16H24F2N2/c1-15(2,3)14-11-20(10-9-19-14)12-16(17,18)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeySMGVZCZXKPETEQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.10
Rot. Bonds3

About 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine

3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine (PubChem CID 116790757) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
PubChem CID116790757
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
SMILESCC(C)(C)C1CN(CC(F)(F)c2ccccc2)CCN1
InChIInChI=1S/C16H24F2N2/c1-15(2,3)14-11-20(10-9-19-14)12-16(17,18)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeySMGVZCZXKPETEQ-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)-3-ethyl-1,4-diazepane
CID 116790827
1-(2,2-difluoro-2-phenylethyl)-3-propyl-1,4-diazepane
CID 116790823
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
(3S)-3-tert-butyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 58665831
4-bromo-1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidine
CID 114682382
2-(4-benzylpiperazin-2-yl)propan-2-ol
CID 15087796
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
3-tert-butyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane
CID 64948853

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine (CID 116790757) is 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine is CC(C)(C)C1CN(CC(F)(F)c2ccccc2)CCN1.
What is the InChIKey of 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine?
The InChIKey is SMGVZCZXKPETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-15(2,3)14-11-20(10-9-19-14)12-16(17,18)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine?
3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine has a molecular weight of 282.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine is sourced from PubChem (CID 116790757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).