1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium

C19H25N2O2+ — CID 4541365

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
SMILESCOc1ccccc1OCC[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2/c1-22-18-9-5-6-10-19(18)23-16-15-20-11-13-21(14-12-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1
InChIKeyKRMCDFSQQNVCJH-UHFFFAOYSA-O
MW313.42 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium

1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium (PubChem CID 4541365) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
PubChem CID4541365
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
SMILESCOc1ccccc1OCC[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2/c1-22-18-9-5-6-10-19(18)23-16-15-20-11-13-21(14-12-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1
InChIKeyKRMCDFSQQNVCJH-UHFFFAOYSA-O
XLogP1.48
TPSA26.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenylpiperazin-1-ium
CID 7440782
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
(3R,4S)-1-[2-(2-methoxyphenoxy)ethyl]-3,4-dimethylpiperidin-1-ium
CID 11921908
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 4536710
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
5-[2-(2-methoxyphenoxy)ethyl]-3-methyl-1,3,5-thiadiazinan-5-ium-2-thione
CID 6955328
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378414
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7441747
1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
CID 6942812
(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7087792

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium (CID 4541365) is 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium is COc1ccccc1OCC[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium?
The InChIKey is KRMCDFSQQNVCJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-9-5-6-10-19(18)23-16-15-20-11-13-21(14-12-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium?
1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium has a molecular weight of 313.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 4541365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).