4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol

C19H23ClN3O+ — CID 5098999

IUPAC4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol
SMILESC=C(NN1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,21,24H,1,10-14H2/p+1
InChIKeyXYSRBDJFHUOFGG-UHFFFAOYSA-O
MW344.87 g/mol
LogP1.92
Rot. Bonds5

About 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol

4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol (PubChem CID 5098999) has the molecular formula C19H23ClN3O+ and a molecular weight of 344.87 g/mol. Its IUPAC name is 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol.

Molecular Properties

Compound Name4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol
PubChem CID5098999
Molecular FormulaC19H23ClN3O+
Molecular Weight344.87 g/mol
Exact Mass344.15
IUPAC Name4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol
SMILESC=C(NN1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,21,24H,1,10-14H2/p+1
InChIKeyXYSRBDJFHUOFGG-UHFFFAOYSA-O
XLogP1.92
TPSA39.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol with MolForge

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Related Compounds

4-benzyl-N-(1-naphthalen-2-ylethenyl)piperazin-4-ium-1-amine
CID 4746624
1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 6943021
1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone
CID 4745609
1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium
CID 9391389
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine
CID 6960710
4-[(4-chlorophenyl)methyl]-N-[1-(furan-2-yl)ethenyl]piperazin-4-ium-1-amine
CID 4126834
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 6981216
1-[(2-chlorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium
CID 6937348
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine
CID 7784228
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine
CID 6973039
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334869

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol?
The IUPAC name of 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol (CID 5098999) is 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol.
What is the SMILES notation for 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol?
The canonical SMILES for 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol is C=C(NN1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol?
The InChIKey is XYSRBDJFHUOFGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,21,24H,1,10-14H2/p+1.
What are the key properties of 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol?
4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol has a molecular weight of 344.87 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]ethenyl]phenol is sourced from PubChem (CID 5098999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).