1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine

C15H20F2N2 — CID 120906011

IUPAC1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
SMILESCC1CN(C/C=C/c2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H20F2N2/c1-11-10-19(12(2)9-18-11)7-3-4-13-5-6-14(16)8-15(13)17/h3-6,8,11-12,18H,7,9-10H2,1-2H3/b4-3+
InChIKeyHSFFTLKGJABBFI-ONEGZZNKSA-N
MW266.33 g/mol
LogP2.66
Rot. Bonds3

About 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine

1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine (PubChem CID 120906011) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
PubChem CID120906011
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
SMILESCC1CN(C/C=C/c2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H20F2N2/c1-11-10-19(12(2)9-18-11)7-3-4-13-5-6-14(16)8-15(13)17/h3-6,8,11-12,18H,7,9-10H2,1-2H3/b4-3+
InChIKeyHSFFTLKGJABBFI-ONEGZZNKSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-6-methylpiperidine-3-carboxylic acid
CID 122124531
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64937698
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845956
(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
CID 91251130
1-[(5-fluoro-1-benzofuran-2-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906424
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
CID 64844702
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine (CID 120906011) is 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine is CC1CN(C/C=C/c2ccc(F)cc2F)C(C)CN1.
What is the InChIKey of 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine?
The InChIKey is HSFFTLKGJABBFI-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-11-10-19(12(2)9-18-11)7-3-4-13-5-6-14(16)8-15(13)17/h3-6,8,11-12,18H,7,9-10H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine?
1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine has a molecular weight of 266.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 120906011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).