1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine

C21H27ClN2O3 — CID 90477466

IUPAC1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C21H27ClN2O3/c1-25-19-9-4-16(20(26-2)21(19)27-3)10-11-23-12-14-24(15-13-23)18-7-5-17(22)6-8-18/h4-9H,10-15H2,1-3H3
InChIKeyTULSIGLVLQBRQG-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine

1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine (PubChem CID 90477466) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
PubChem CID90477466
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C21H27ClN2O3/c1-25-19-9-4-16(20(26-2)21(19)27-3)10-11-23-12-14-24(15-13-23)18-7-5-17(22)6-8-18/h4-9H,10-15H2,1-3H3
InChIKeyTULSIGLVLQBRQG-UHFFFAOYSA-N
XLogP3.73
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 67605120
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
ethyl 4-[6-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dimethoxyphenoxy]butanoate
CID 23441403
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
(E)-5-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
CID 6437941
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
CID 57128124
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine (CID 90477466) is 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine is COc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The InChIKey is TULSIGLVLQBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-25-19-9-4-16(20(26-2)21(19)27-3)10-11-23-12-14-24(15-13-23)18-7-5-17(22)6-8-18/h4-9H,10-15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine has a molecular weight of 390.91 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 90477466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).