4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine

C18H29ClN2O2 — CID 56893912

IUPAC4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(Cl)c(OC)cc2OC)CCN1C(C)C
InChIInChI=1S/C18H29ClN2O2/c1-6-15-12-20(7-8-21(15)13(2)3)11-14-9-16(19)18(23-5)10-17(14)22-4/h9-10,13,15H,6-8,11-12H2,1-5H3
InChIKeyQTZVNEJTGUPMCP-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.66
Rot. Bonds6

About 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine

4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine (PubChem CID 56893912) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
PubChem CID56893912
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(Cl)c(OC)cc2OC)CCN1C(C)C
InChIInChI=1S/C18H29ClN2O2/c1-6-15-12-20(7-8-21(15)13(2)3)11-14-9-16(19)18(23-5)10-17(14)22-4/h9-10,13,15H,6-8,11-12H2,1-5H3
InChIKeyQTZVNEJTGUPMCP-UHFFFAOYSA-N
XLogP3.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine (CID 56893912) is 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The canonical SMILES for 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine is CCC1CN(Cc2cc(Cl)c(OC)cc2OC)CCN1C(C)C.
What is the InChIKey of 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
The InChIKey is QTZVNEJTGUPMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-6-15-12-20(7-8-21(15)13(2)3)11-14-9-16(19)18(23-5)10-17(14)22-4/h9-10,13,15H,6-8,11-12H2,1-5H3.
What are the key properties of 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine?
4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine has a molecular weight of 340.90 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 56893912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).