1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

C16H24F2N2 — CID 114934592

IUPAC1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2c(F)cccc2F)C(C(C)C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-12-9-20(16(8-19-12)11(2)3)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,16,19H,4,8-10H2,1-3H3
InChIKeyXZSPTPBAWJFBAN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.17
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 114934592) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID114934592
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2c(F)cccc2F)C(C(C)C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-12-9-20(16(8-19-12)11(2)3)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,16,19H,4,8-10H2,1-3H3
InChIKeyXZSPTPBAWJFBAN-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (CID 114934592) is 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(Cc2c(F)cccc2F)C(C(C)C)CN1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is XZSPTPBAWJFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-4-12-9-20(16(8-19-12)11(2)3)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,16,19H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine 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 1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 114934592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).