2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol

C22H30N2O4 — CID 139216494

IUPAC2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H]2CN(CCO)C[C@@H](c3ccc(OC)cc3)N2CCO)cc1
InChIInChI=1S/C22H30N2O4/c1-27-19-7-3-17(4-8-19)21-15-23(11-13-25)16-22(24(21)12-14-26)18-5-9-20(28-2)10-6-18/h3-10,21-22,25-26H,11-16H2,1-2H3/t21-,22-/m0/s1
InChIKeyWPZHUNPOBTYSIS-VXKWHMMOSA-N
MW386.49 g/mol
LogP2.09
Rot. Bonds8

About 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol

2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 139216494) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol
PubChem CID139216494
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H]2CN(CCO)C[C@@H](c3ccc(OC)cc3)N2CCO)cc1
InChIInChI=1S/C22H30N2O4/c1-27-19-7-3-17(4-8-19)21-15-23(11-13-25)16-22(24(21)12-14-26)18-5-9-20(28-2)10-6-18/h3-10,21-22,25-26H,11-16H2,1-2H3/t21-,22-/m0/s1
InChIKeyWPZHUNPOBTYSIS-VXKWHMMOSA-N
XLogP2.09
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
CID 105497638
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 78697710
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
CID 84712363

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol (CID 139216494) is 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol is COc1ccc([C@@H]2CN(CCO)C[C@@H](c3ccc(OC)cc3)N2CCO)cc1.
What is the InChIKey of 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is WPZHUNPOBTYSIS-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-27-19-7-3-17(4-8-19)21-15-23(11-13-25)16-22(24(21)12-14-26)18-5-9-20(28-2)10-6-18/h3-10,21-22,25-26H,11-16H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol?
2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 386.49 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 139216494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).