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

C22H36N2O4 — CID 45247515

IUPAC4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(CC3CCCCC3)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C22H36N2O4/c1-27-20-12-18(13-21(28-2)22(20)26)14-23-9-10-24(19(16-23)8-11-25)15-17-6-4-3-5-7-17/h12-13,17,19,25-26H,3-11,14-16H2,1-2H3
InChIKeyWZWFRHJCSXBFIH-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.86
Rot. Bonds8

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

4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 45247515) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID45247515
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(CC3CCCCC3)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C22H36N2O4/c1-27-20-12-18(13-21(28-2)22(20)26)14-23-9-10-24(19(16-23)8-11-25)15-17-6-4-3-5-7-17/h12-13,17,19,25-26H,3-11,14-16H2,1-2H3
InChIKeyWZWFRHJCSXBFIH-UHFFFAOYSA-N
XLogP2.86
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29087603
2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29258284
4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45239967
2-[1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45205791
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 45241392
2-[1-(2,2-dimethylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45205517
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98567856
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
2-chloro-4-[[(3R)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 98573467
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 45247515) is 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(CC3CCCCC3)C(CCO)C2)cc(OC)c1O.
What is the InChIKey of 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is WZWFRHJCSXBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-27-20-12-18(13-21(28-2)22(20)26)14-23-9-10-24(19(16-23)8-11-25)15-17-6-4-3-5-7-17/h12-13,17,19,25-26H,3-11,14-16H2,1-2H3.
What are the key properties of 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 392.54 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 45247515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).