1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium

C18H21ClFN2O+ — CID 7441236

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3/p+1
InChIKeyGYANLPFLRDPZDK-UHFFFAOYSA-O
MW335.83 g/mol
LogP2.39
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium (PubChem CID 7441236) has the molecular formula C18H21ClFN2O+ and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
PubChem CID7441236
Molecular FormulaC18H21ClFN2O+
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3/p+1
InChIKeyGYANLPFLRDPZDK-UHFFFAOYSA-O
XLogP2.39
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6943088
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9202770
1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 7417593
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-(2-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6936837
1-(2-fluorophenyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium
CID 6944337
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653633

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium (CID 7441236) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium is COc1ccccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The InChIKey is GYANLPFLRDPZDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClFN2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3/p+1.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium?
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium has a molecular weight of 335.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium is sourced from PubChem (CID 7441236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).