4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C23H32N2O4 — CID 45239967

IUPAC4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C23H32N2O4/c1-17-6-4-5-7-19(17)15-25-10-9-24(16-20(25)8-11-26)14-18-12-21(28-2)23(27)22(13-18)29-3/h4-7,12-13,20,26-27H,8-11,14-16H2,1-3H3
InChIKeyOQYCUNWKYZNNTM-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.79
Rot. Bonds8

About 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 45239967) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID45239967
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C23H32N2O4/c1-17-6-4-5-7-19(17)15-25-10-9-24(16-20(25)8-11-26)14-18-12-21(28-2)23(27)22(13-18)29-3/h4-7,12-13,20,26-27H,8-11,14-16H2,1-3H3
InChIKeyOQYCUNWKYZNNTM-UHFFFAOYSA-N
XLogP2.79
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635489
2-[(2R)-4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98587425
2-[4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238053
2-chloro-4-[[(3R)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 98573467
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45194079
2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29088397
2-[1-[(2-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45245970
4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45247515
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45206531
2-[4-[(3,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45178650
2-[1-[(2-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 45250534

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 45239967) is 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(Cc3ccccc3C)C(CCO)C2)cc(OC)c1O.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is OQYCUNWKYZNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-17-6-4-5-7-19(17)15-25-10-9-24(16-20(25)8-11-26)14-18-12-21(28-2)23(27)22(13-18)29-3/h4-7,12-13,20,26-27H,8-11,14-16H2,1-3H3.
What are the key properties of 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 400.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 45239967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).