4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine

C15H24ClN3O — CID 133379044

IUPAC4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine
SMILESCCOCCN1CCN(c2ccnc(Cl)c2)CC1CC
InChIInChI=1S/C15H24ClN3O/c1-3-13-12-19(14-5-6-17-15(16)11-14)8-7-18(13)9-10-20-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyGTPJFJSVBLWACB-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.67
Rot. Bonds6

About 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine

4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine (PubChem CID 133379044) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine
PubChem CID133379044
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine
SMILESCCOCCN1CCN(c2ccnc(Cl)c2)CC1CC
InChIInChI=1S/C15H24ClN3O/c1-3-13-12-19(14-5-6-17-15(16)11-14)8-7-18(13)9-10-20-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyGTPJFJSVBLWACB-UHFFFAOYSA-N
XLogP2.67
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine (CID 133379044) is 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine is CCOCCN1CCN(c2ccnc(Cl)c2)CC1CC.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine?
The InChIKey is GTPJFJSVBLWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-13-12-19(14-5-6-17-15(16)11-14)8-7-18(13)9-10-20-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3.
What are the key properties of 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine?
4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine has a molecular weight of 297.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine is sourced from PubChem (CID 133379044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).