1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium

C25H29N2O2+ — CID 7440782

IUPAC1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium
SMILESCOc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-28-25-18-22(12-13-24(25)29-20-21-8-4-2-5-9-21)19-26-14-16-27(17-15-26)23-10-6-3-7-11-23/h2-13,18H,14-17,19-20H2,1H3/p+1
InChIKeyINYOSINQIJOQKT-UHFFFAOYSA-O
MW389.52 g/mol
LogP3.18
Rot. Bonds7

About 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium (PubChem CID 7440782) has the molecular formula C25H29N2O2+ and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium
PubChem CID7440782
Molecular FormulaC25H29N2O2+
Molecular Weight389.52 g/mol
Exact Mass389.22
IUPAC Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium
SMILESCOc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-28-25-18-22(12-13-24(25)29-20-21-8-4-2-5-9-21)19-26-14-16-27(17-15-26)23-10-6-3-7-11-23/h2-13,18H,14-17,19-20H2,1H3/p+1
InChIKeyINYOSINQIJOQKT-UHFFFAOYSA-O
XLogP3.18
TPSA26.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-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-fluorophenyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium
CID 7441126
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 7334786
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7441747
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
CID 2912108
(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7087792
1-(3-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6937389
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
CID 4541365
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperazine-1,4-diium-1-yl]ethanol
CID 8003274
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 164610772
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium (CID 7440782) is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium is COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium?
The InChIKey is INYOSINQIJOQKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28N2O2/c1-28-25-18-22(12-13-24(25)29-20-21-8-4-2-5-9-21)19-26-14-16-27(17-15-26)23-10-6-3-7-11-23/h2-13,18H,14-17,19-20H2,1H3/p+1.
What are the key properties of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium?
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium has a molecular weight of 389.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 7440782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).