3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol

C15H24N2O3 — CID 166286980

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
SMILESCOc1ccccc1N1CCN(CC(C)(O)CO)CC1
InChIInChI=1S/C15H24N2O3/c1-15(19,12-18)11-16-7-9-17(10-8-16)13-5-3-4-6-14(13)20-2/h3-6,18-19H,7-12H2,1-2H3
InChIKeyUEBSFOCUUCMVDT-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.56
Rot. Bonds5

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol (PubChem CID 166286980) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
PubChem CID166286980
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
SMILESCOc1ccccc1N1CCN(CC(C)(O)CO)CC1
InChIInChI=1S/C15H24N2O3/c1-15(19,12-18)11-16-7-9-17(10-8-16)13-5-3-4-6-14(13)20-2/h3-6,18-19H,7-12H2,1-2H3
InChIKeyUEBSFOCUUCMVDT-UHFFFAOYSA-N
XLogP0.56
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
CID 62261924
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
CID 67612939
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol (CID 166286980) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol is COc1ccccc1N1CCN(CC(C)(O)CO)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol?
The InChIKey is UEBSFOCUUCMVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(19,12-18)11-16-7-9-17(10-8-16)13-5-3-4-6-14(13)20-2/h3-6,18-19H,7-12H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol has a molecular weight of 280.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol is sourced from PubChem (CID 166286980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).