1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine

C15H22F2N2 — CID 64930823

IUPAC1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(F)c2)C(CC)CN1
InChIInChI=1S/C15H22F2N2/c1-3-5-11-10-19(12(4-2)9-18-11)13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,3-5,9-10H2,1-2H3
InChIKeyXMAYZKFYEXQHQK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.32
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine

1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine (PubChem CID 64930823) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
PubChem CID64930823
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(F)c2)C(CC)CN1
InChIInChI=1S/C15H22F2N2/c1-3-5-11-10-19(12(4-2)9-18-11)13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,3-5,9-10H2,1-2H3
InChIKeyXMAYZKFYEXQHQK-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930985
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(3,4-difluorophenyl)-3-propylpiperazine
CID 64923821
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine (CID 64930823) is 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine is CCCC1CN(c2ccc(F)c(F)c2)C(CC)CN1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine?
The InChIKey is XMAYZKFYEXQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-5-11-10-19(12(4-2)9-18-11)13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine?
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 64930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).