2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine

C21H27ClN2O3 — CID 120768816

IUPAC2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
SMILESCOCCOc1ccc(CN2CCNCC2c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-25-11-12-27-20-8-7-16(13-21(20)26-2)15-24-10-9-23-14-19(24)17-5-3-4-6-18(17)22/h3-8,13,19,23H,9-12,14-15H2,1-2H3
InChIKeyZLWQXBYIWGCBMR-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine

2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine (PubChem CID 120768816) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
PubChem CID120768816
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
SMILESCOCCOc1ccc(CN2CCNCC2c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-25-11-12-27-20-8-7-16(13-21(20)26-2)15-24-10-9-23-14-19(24)17-5-3-4-6-18(17)22/h3-8,13,19,23H,9-12,14-15H2,1-2H3
InChIKeyZLWQXBYIWGCBMR-UHFFFAOYSA-N
XLogP3.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
methyl 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120768800
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine (CID 120768816) is 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine is COCCOc1ccc(CN2CCNCC2c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine?
The InChIKey is ZLWQXBYIWGCBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-25-11-12-27-20-8-7-16(13-21(20)26-2)15-24-10-9-23-14-19(24)17-5-3-4-6-18(17)22/h3-8,13,19,23H,9-12,14-15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine?
2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine has a molecular weight of 390.91 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 120768816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).