2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride

C24H29ClN2O3 — CID 171318206

IUPAC2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCO)C(COc2cccc3ccccc23)C1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-14-13-25(15-16-27)20(17-26)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H
InChIKeyUEIVEZMRWUTVIT-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.83
Rot. Bonds7

About 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 171318206) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID171318206
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCO)C(COc2cccc3ccccc23)C1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-14-13-25(15-16-27)20(17-26)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H
InChIKeyUEIVEZMRWUTVIT-UHFFFAOYSA-N
XLogP3.83
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[2-(methoxymethyl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanol
CID 24842152
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
CID 24848775
1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 131709095
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 70091931
[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 17369253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride (CID 171318206) is 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride is COc1ccccc1N1CCN(CCO)C(COc2cccc3ccccc23)C1.Cl.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is UEIVEZMRWUTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-14-13-25(15-16-27)20(17-26)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H.
What are the key properties of 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 171318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).