5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine

C23H28N2O — CID 10269256

IUPAC5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCc1cccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn12
InChIInChI=1S/C23H28N2O/c1-19-7-5-8-22-17-21(18-25(19)22)20-9-11-23(12-10-20)26-16-6-15-24-13-3-2-4-14-24/h5,7-12,17-18H,2-4,6,13-16H2,1H3
InChIKeyIMIAKLZGXOWQAL-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.17
Rot. Bonds6

About 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine

5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (PubChem CID 10269256) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.

Molecular Properties

Compound Name5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
PubChem CID10269256
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCc1cccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn12
InChIInChI=1S/C23H28N2O/c1-19-7-5-8-22-17-21(18-25(19)22)20-9-11-23(12-10-20)26-16-6-15-24-13-3-2-4-14-24/h5,7-12,17-18H,2-4,6,13-16H2,1H3
InChIKeyIMIAKLZGXOWQAL-UHFFFAOYSA-N
XLogP5.17
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The IUPAC name of 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (CID 10269256) is 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.
What is the SMILES notation for 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The canonical SMILES for 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is Cc1cccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn12.
What is the InChIKey of 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The InChIKey is IMIAKLZGXOWQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19-7-5-8-22-17-21(18-25(19)22)20-9-11-23(12-10-20)26-16-6-15-24-13-3-2-4-14-24/h5,7-12,17-18H,2-4,6,13-16H2,1H3.
What are the key properties of 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine has a molecular weight of 348.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is sourced from PubChem (CID 10269256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).