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

C20H31ClN2O3 — CID 45237963

IUPAC2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(C3CCCC3)C(CCO)C2)c(Cl)c1OC
InChIInChI=1S/C20H31ClN2O3/c1-25-18-8-7-15(19(21)20(18)26-2)13-22-10-11-23(16-5-3-4-6-16)17(14-22)9-12-24/h7-8,16-17,24H,3-6,9-14H2,1-2H3
InChIKeyABUPFJXFQVPBJN-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.17
Rot. Bonds7

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

2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol (PubChem CID 45237963) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
PubChem CID45237963
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(C3CCCC3)C(CCO)C2)c(Cl)c1OC
InChIInChI=1S/C20H31ClN2O3/c1-25-18-8-7-15(19(21)20(18)26-2)13-22-10-11-23(16-5-3-4-6-16)17(14-22)9-12-24/h7-8,16-17,24H,3-6,9-14H2,1-2H3
InChIKeyABUPFJXFQVPBJN-UHFFFAOYSA-N
XLogP3.17
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
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
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-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 30854343
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45235277
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 29154220
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol (CID 45237963) is 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol is COc1ccc(CN2CCN(C3CCCC3)C(CCO)C2)c(Cl)c1OC.
What is the InChIKey of 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
The InChIKey is ABUPFJXFQVPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O3/c1-25-18-8-7-15(19(21)20(18)26-2)13-22-10-11-23(16-5-3-4-6-16)17(14-22)9-12-24/h7-8,16-17,24H,3-6,9-14H2,1-2H3.
What are the key properties of 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol?
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol has a molecular weight of 382.93 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).