2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

C22H36N2O3 — CID 29258284

IUPAC2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1
InChIInChI=1S/C22H36N2O3/c1-26-21-9-8-19(22(14-21)27-2)16-23-11-12-24(20(17-23)10-13-25)15-18-6-4-3-5-7-18/h8-9,14,18,20,25H,3-7,10-13,15-17H2,1-2H3/t20-/m0/s1
InChIKeyCLIJTXHZFVXHDS-FQEVSTJZSA-N
MW376.54 g/mol
LogP3.15
Rot. Bonds8

About 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 29258284) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID29258284
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1
InChIInChI=1S/C22H36N2O3/c1-26-21-9-8-19(22(14-21)27-2)16-23-11-12-24(20(17-23)10-13-25)15-18-6-4-3-5-7-18/h8-9,14,18,20,25H,3-7,10-13,15-17H2,1-2H3/t20-/m0/s1
InChIKeyCLIJTXHZFVXHDS-FQEVSTJZSA-N
XLogP3.15
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45247515
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
2-[[3-(2-hydroxyethyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 45203708
2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29087603
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218
2-[[4-benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 45180634
2-[(2R)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 98558879
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 29258284) is 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1.
What is the InChIKey of 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is CLIJTXHZFVXHDS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-26-21-9-8-19(22(14-21)27-2)16-23-11-12-24(20(17-23)10-13-25)15-18-6-4-3-5-7-18/h8-9,14,18,20,25H,3-7,10-13,15-17H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 376.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29258284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).