5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol

C20H32N2O3 — CID 45171109

IUPAC5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)cc1O
InChIInChI=1S/C20H32N2O3/c1-25-20-8-7-16(13-19(20)24)14-21-10-11-22(18(15-21)9-12-23)17-5-3-2-4-6-17/h7-8,13,17-18,23-24H,2-6,9-12,14-15H2,1H3
InChIKeyZAGCLZUHUJRZRT-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.60
Rot. Bonds6

About 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol

5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 45171109) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID45171109
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)cc1O
InChIInChI=1S/C20H32N2O3/c1-25-20-8-7-16(13-19(20)24)14-21-10-11-22(18(15-21)9-12-23)17-5-3-2-4-6-17/h7-8,13,17-18,23-24H,2-6,9-12,14-15H2,1H3
InChIKeyZAGCLZUHUJRZRT-UHFFFAOYSA-N
XLogP2.60
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 29154220
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[4-[(3,4-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45243864
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45235277
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
CID 45184666
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456

Frequently Asked Questions

What is the IUPAC name of 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol (CID 45171109) is 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCN(C3CCCCC3)C(CCO)C2)cc1O.
What is the InChIKey of 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is ZAGCLZUHUJRZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-25-20-8-7-16(13-19(20)24)14-21-10-11-22(18(15-21)9-12-23)17-5-3-2-4-6-17/h7-8,13,17-18,23-24H,2-6,9-12,14-15H2,1H3.
What are the key properties of 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol?
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 348.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 45171109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).