2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol

C21H33ClN2O3 — CID 45184666

IUPAC2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
SMILESCOc1cc(Cl)cc(CN2CCN(C3CCCCC3)C(CCO)C2)c1OC
InChIInChI=1S/C21H33ClN2O3/c1-26-20-13-17(22)12-16(21(20)27-2)14-23-9-10-24(19(15-23)8-11-25)18-6-4-3-5-7-18/h12-13,18-19,25H,3-11,14-15H2,1-2H3
InChIKeyDFWRYSJZFYCZPN-UHFFFAOYSA-N
MW396.96 g/mol
LogP3.56
Rot. Bonds7

About 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol

2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol (PubChem CID 45184666) has the molecular formula C21H33ClN2O3 and a molecular weight of 396.96 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
PubChem CID45184666
Molecular FormulaC21H33ClN2O3
Molecular Weight396.96 g/mol
Exact Mass396.22
IUPAC Name2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
SMILESCOc1cc(Cl)cc(CN2CCN(C3CCCCC3)C(CCO)C2)c1OC
InChIInChI=1S/C21H33ClN2O3/c1-26-20-13-17(22)12-16(21(20)27-2)14-23-9-10-24(19(15-23)8-11-25)18-6-4-3-5-7-18/h12-13,18-19,25H,3-11,14-15H2,1-2H3
InChIKeyDFWRYSJZFYCZPN-UHFFFAOYSA-N
XLogP3.56
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
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-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
4-chloro-2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45204573
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
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-[(2S)-1-cyclopentyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 30854343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol (CID 45184666) is 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol is COc1cc(Cl)cc(CN2CCN(C3CCCCC3)C(CCO)C2)c1OC.
What is the InChIKey of 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol?
The InChIKey is DFWRYSJZFYCZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O3/c1-26-20-13-17(22)12-16(21(20)27-2)14-23-9-10-24(19(15-23)8-11-25)18-6-4-3-5-7-18/h12-13,18-19,25H,3-11,14-15H2,1-2H3.
What are the key properties of 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol?
2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol has a molecular weight of 396.96 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).