2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol

C22H36N2O2 — CID 45235277

IUPAC2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(C)c(CN2CCN(C3CCCCC3)C(CCO)C2)cc1C
InChIInChI=1S/C22H36N2O2/c1-17-14-22(26-3)18(2)13-19(17)15-23-10-11-24(21(16-23)9-12-25)20-7-5-4-6-8-20/h13-14,20-21,25H,4-12,15-16H2,1-3H3
InChIKeyPOPDDTIHIHDDHW-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.51
Rot. Bonds6

About 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol

2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45235277) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45235277
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(C)c(CN2CCN(C3CCCCC3)C(CCO)C2)cc1C
InChIInChI=1S/C22H36N2O2/c1-17-14-22(26-3)18(2)13-19(17)15-23-10-11-24(21(16-23)9-12-25)20-7-5-4-6-8-20/h13-14,20-21,25H,4-12,15-16H2,1-3H3
InChIKeyPOPDDTIHIHDDHW-UHFFFAOYSA-N
XLogP3.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
CID 45184666
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
2-[(2R)-1-(2,2-dimethylpropyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51903120
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
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-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 29154220
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol (CID 45235277) is 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol is COc1cc(C)c(CN2CCN(C3CCCCC3)C(CCO)C2)cc1C.
What is the InChIKey of 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is POPDDTIHIHDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-17-14-22(26-3)18(2)13-19(17)15-23-10-11-24(21(16-23)9-12-25)20-7-5-4-6-8-20/h13-14,20-21,25H,4-12,15-16H2,1-3H3.
What are the key properties of 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 360.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45235277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).