3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline

C13H17Cl2N3 — CID 143249669

IUPAC3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C13H17Cl2N3/c1-10(18-7-5-17(2)6-8-18)16-11-3-4-12(14)13(15)9-11/h3-4,9,16H,1,5-8H2,2H3
InChIKeyWEZZFGIDILFXHG-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.12
Rot. Bonds3

About 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline

3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline (PubChem CID 143249669) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline
PubChem CID143249669
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C13H17Cl2N3/c1-10(18-7-5-17(2)6-8-18)16-11-3-4-12(14)13(15)9-11/h3-4,9,16H,1,5-8H2,2H3
InChIKeyWEZZFGIDILFXHG-UHFFFAOYSA-N
XLogP3.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methylpiperazine-1-carbothioamide
CID 4225645
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084396
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16803487
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
2-chloro-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193508
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
N-(3,4-dichlorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide
CID 4744709
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-(3-chloro-4-methylphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699154

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline (CID 143249669) is 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline is C=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C)CC1.
What is the InChIKey of 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline?
The InChIKey is WEZZFGIDILFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c1-10(18-7-5-17(2)6-8-18)16-11-3-4-12(14)13(15)9-11/h3-4,9,16H,1,5-8H2,2H3.
What are the key properties of 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline?
3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline has a molecular weight of 286.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)ethenyl]aniline is sourced from PubChem (CID 143249669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).