5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine

C16H24F2N2 — CID 105410061

IUPAC5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
SMILESCCC(C)C1CN(Cc2cc(F)cc(F)c2)C(C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-11(2)16-10-20(12(3)8-19-16)9-13-5-14(17)7-15(18)6-13/h5-7,11-12,16,19H,4,8-10H2,1-3H3
InChIKeyIHQFUVXYZXIVAP-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.17
Rot. Bonds4

About 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine

5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine (PubChem CID 105410061) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
PubChem CID105410061
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
SMILESCCC(C)C1CN(Cc2cc(F)cc(F)c2)C(C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-11(2)16-10-20(12(3)8-19-16)9-13-5-14(17)7-15(18)6-13/h5-7,11-12,16,19H,4,8-10H2,1-3H3
InChIKeyIHQFUVXYZXIVAP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595
3-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-1,4-diazepane
CID 105410193
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
CID 114112242
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
3-butan-2-yl-1-[(3,4-difluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 82926547
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
3-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 102620786
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
3-butan-2-yl-1-[(3,4-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870557

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine (CID 105410061) is 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine is CCC(C)C1CN(Cc2cc(F)cc(F)c2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is IHQFUVXYZXIVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-4-11(2)16-10-20(12(3)8-19-16)9-13-5-14(17)7-15(18)6-13/h5-7,11-12,16,19H,4,8-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine?
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 105410061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).