1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium

C19H25ClN2O+2 — CID 6941527

IUPAC1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccccc1C[NH+]1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c1-23-19-5-3-2-4-17(19)15-22-12-10-21(11-13-22)14-16-6-8-18(20)9-7-16/h2-9H,10-15H2,1H3/p+2
InChIKeyAYUJSXPEEOWVIP-UHFFFAOYSA-P
MW332.88 g/mol
LogP0.83
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium

1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 6941527) has the molecular formula C19H25ClN2O+2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID6941527
Molecular FormulaC19H25ClN2O+2
Molecular Weight332.88 g/mol
Exact Mass332.16
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccccc1C[NH+]1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O/c1-23-19-5-3-2-4-17(19)15-22-12-10-21(11-13-22)14-16-6-8-18(20)9-7-16/h2-9H,10-15H2,1H3/p+2
InChIKeyAYUJSXPEEOWVIP-UHFFFAOYSA-P
XLogP0.83
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 4172100
1-[(3-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6981648
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4743388
1-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium
CID 4743046
1-benzyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazine-1,4-diium
CID 7446384
1-[(2-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6974802
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 4741913
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-1-ium
CID 3949230
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
CID 7366693
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine-1,4-diium
CID 6941232
1-[(3-chlorophenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4754999

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium (CID 6941527) is 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium is COc1ccccc1C[NH+]1CC[NH+](Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is AYUJSXPEEOWVIP-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23ClN2O/c1-23-19-5-3-2-4-17(19)15-22-12-10-21(11-13-22)14-16-6-8-18(20)9-7-16/h2-9H,10-15H2,1H3/p+2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 332.88 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 6941527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).