1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine

C18H18F3N3 — CID 136543268

IUPAC1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESFc1ccc(C=CCN2CCN(c3ncccc3F)CC2)cc1F
InChIInChI=1S/C18H18F3N3/c19-15-6-5-14(13-17(15)21)3-2-8-23-9-11-24(12-10-23)18-16(20)4-1-7-22-18/h1-7,13H,8-12H2
InChIKeyLINXSBBKAFYSFU-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine

1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine (PubChem CID 136543268) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine
PubChem CID136543268
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESFc1ccc(C=CCN2CCN(c3ncccc3F)CC2)cc1F
InChIInChI=1S/C18H18F3N3/c19-15-6-5-14(13-17(15)21)3-2-8-23-9-11-24(12-10-23)18-16(20)4-1-7-22-18/h1-7,13H,8-12H2
InChIKeyLINXSBBKAFYSFU-UHFFFAOYSA-N
XLogP3.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
3-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 146145831
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
1-(3-fluoro-2-pyridinyl)-1,4-azaphosphinan-4-ium 4-oxide
CID 175693881
1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165433120
1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
CID 142827398
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
1-(5-chloro-3-nitro-2-pyridinyl)-4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 66855508
(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122038301

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine (CID 136543268) is 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine is Fc1ccc(C=CCN2CCN(c3ncccc3F)CC2)cc1F.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The InChIKey is LINXSBBKAFYSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-15-6-5-14(13-17(15)21)3-2-8-23-9-11-24(12-10-23)18-16(20)4-1-7-22-18/h1-7,13H,8-12H2.
What are the key properties of 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine?
1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine has a molecular weight of 333.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 136543268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).