1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine

C15H22F2N2 — CID 64841386

IUPAC1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2cc(F)ccc2F)C(C)(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-13-9-19(15(2,3)10-18-13)8-11-7-12(16)5-6-14(11)17/h5-7,13,18H,4,8-10H2,1-3H3
InChIKeyAZUUQZBVAFNVDZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine

1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine (PubChem CID 64841386) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
PubChem CID64841386
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2cc(F)ccc2F)C(C)(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-13-9-19(15(2,3)10-18-13)8-11-7-12(16)5-6-14(11)17/h5-7,13,18H,4,8-10H2,1-3H3
InChIKeyAZUUQZBVAFNVDZ-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine (CID 64841386) is 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine is CCC1CN(Cc2cc(F)ccc2F)C(C)(C)CN1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The InChIKey is AZUUQZBVAFNVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-13-9-19(15(2,3)10-18-13)8-11-7-12(16)5-6-14(11)17/h5-7,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64841386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).