3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine

C15H22F2N2O — CID 64925822

IUPAC3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
SMILESCCC(C)C1CN(c2ccccc2OC(F)F)CCN1
InChIInChI=1S/C15H22F2N2O/c1-3-11(2)12-10-19(9-8-18-12)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3
InChIKeyKWDJMMJWDGXZOQ-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.11
Rot. Bonds5

About 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine

3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine (PubChem CID 64925822) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
PubChem CID64925822
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
SMILESCCC(C)C1CN(c2ccccc2OC(F)F)CCN1
InChIInChI=1S/C15H22F2N2O/c1-3-11(2)12-10-19(9-8-18-12)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3
InChIKeyKWDJMMJWDGXZOQ-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
3-butan-2-yl-1-(2-fluorophenyl)-1,4-diazepane
CID 64942519
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215
3-butan-2-yl-1-naphthalen-1-yl-1,4-diazepane
CID 64941881
1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-amine
CID 43315583
3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
N-methyl-1-[4-(2-propan-2-yloxyphenyl)piperazin-2-yl]methanamine
CID 117026970
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine
CID 64954803
3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
CID 64925235
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine?
The IUPAC name of 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine (CID 64925822) is 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine?
The canonical SMILES for 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine is CCC(C)C1CN(c2ccccc2OC(F)F)CCN1.
What is the InChIKey of 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine?
The InChIKey is KWDJMMJWDGXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-11(2)12-10-19(9-8-18-12)13-6-4-5-7-14(13)20-15(16)17/h4-7,11-12,15,18H,3,8-10H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine?
3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine has a molecular weight of 284.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 64925822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).