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

C13H16F2N2 — CID 82511027

IUPAC1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2/c1-10(9-17-6-4-16-5-7-17)11-2-3-12(14)13(15)8-11/h2-3,8,16H,1,4-7,9H2
InChIKeyNFVDVLSQDQKIHH-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.88
Rot. Bonds3

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

1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine (PubChem CID 82511027) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine
PubChem CID82511027
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2/c1-10(9-17-6-4-16-5-7-17)11-2-3-12(14)13(15)8-11/h2-3,8,16H,1,4-7,9H2
InChIKeyNFVDVLSQDQKIHH-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)prop-2-enyl]piperazine
CID 82509183
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(1,4-diazepan-1-yl)-4-(3,4-difluorophenyl)butane-1,4-dione;hydrochloride
CID 119415843
4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 82263442
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
1-(3,4-difluorophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54976721
1-(3,4-difluorophenyl)piperazine
CID 2783122
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine (CID 82511027) is 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine is C=C(CN1CCNCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine?
The InChIKey is NFVDVLSQDQKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-10(9-17-6-4-16-5-7-17)11-2-3-12(14)13(15)8-11/h2-3,8,16H,1,4-7,9H2.
What are the key properties of 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine?
1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine has a molecular weight of 238.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 82511027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).