4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine

C15H24ClN3O — CID 75451957

IUPAC4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine
SMILESCCC1CN(c2ccnc(C)c2Cl)CCN1CCOC
InChIInChI=1S/C15H24ClN3O/c1-4-13-11-19(8-7-18(13)9-10-20-3)14-5-6-17-12(2)15(14)16/h5-6,13H,4,7-11H2,1-3H3
InChIKeyIFHMOMOYNTZZKY-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.59
Rot. Bonds5

About 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine

4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine (PubChem CID 75451957) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine
PubChem CID75451957
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine
SMILESCCC1CN(c2ccnc(C)c2Cl)CCN1CCOC
InChIInChI=1S/C15H24ClN3O/c1-4-13-11-19(8-7-18(13)9-10-20-3)14-5-6-17-12(2)15(14)16/h5-6,13H,4,7-11H2,1-3H3
InChIKeyIFHMOMOYNTZZKY-UHFFFAOYSA-N
XLogP2.59
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine?
The IUPAC name of 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine (CID 75451957) is 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine.
What is the SMILES notation for 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine?
The canonical SMILES for 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine is CCC1CN(c2ccnc(C)c2Cl)CCN1CCOC.
What is the InChIKey of 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine?
The InChIKey is IFHMOMOYNTZZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-13-11-19(8-7-18(13)9-10-20-3)14-5-6-17-12(2)15(14)16/h5-6,13H,4,7-11H2,1-3H3.
What are the key properties of 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine?
4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine has a molecular weight of 297.83 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine is sourced from PubChem (CID 75451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).