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

C22H29ClN2O4 — CID 2948911

IUPAC1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CCOc3ccccc3Cl)CC2)c(OC)c1OC
InChIInChI=1S/C22H29ClN2O4/c1-26-20-9-8-17(21(27-2)22(20)28-3)16-25-12-10-24(11-13-25)14-15-29-19-7-5-4-6-18(19)23/h4-9H,10-16H2,1-3H3
InChIKeyYCXAKFSQDWGVCJ-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.56
Rot. Bonds9

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

1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 2948911) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID2948911
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CCOc3ccccc3Cl)CC2)c(OC)c1OC
InChIInChI=1S/C22H29ClN2O4/c1-26-20-9-8-17(21(27-2)22(20)28-3)16-25-12-10-24(11-13-25)14-15-29-19-7-5-4-6-18(19)23/h4-9H,10-16H2,1-3H3
InChIKeyYCXAKFSQDWGVCJ-UHFFFAOYSA-N
XLogP3.56
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 36840734
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 31606677
4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 2948911) is 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(CCOc3ccccc3Cl)CC2)c(OC)c1OC.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is YCXAKFSQDWGVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4/c1-26-20-9-8-17(21(27-2)22(20)28-3)16-25-12-10-24(11-13-25)14-15-29-19-7-5-4-6-18(19)23/h4-9H,10-16H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 420.94 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2948911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).