2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine

C15H22F2N2 — CID 82924877

IUPAC2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyTUKUYUYNVZAQEY-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.78
Rot. Bonds4

About 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine

2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine (PubChem CID 82924877) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
PubChem CID82924877
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyTUKUYUYNVZAQEY-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349534
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64844455
3-butan-2-yl-1-[(3,4-difluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 82926547
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine (CID 82924877) is 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine is CCC(C)C1CNCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine?
The InChIKey is TUKUYUYNVZAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)14(17)8-12/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine?
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine has a molecular weight of 268.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 82924877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).