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

C24H30N2O — CID 10109296

IUPAC3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12
InChIInChI=1S/C24H30N2O/c1-2-24-23(19-21-9-4-7-17-26(21)24)20-10-12-22(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3
InChIKeyINILXCLBRUEXEI-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.42
Rot. Bonds7

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

3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (PubChem CID 10109296) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.

Molecular Properties

Compound Name3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
PubChem CID10109296
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12
InChIInChI=1S/C24H30N2O/c1-2-24-23(19-21-9-4-7-17-26(21)24)20-10-12-22(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3
InChIKeyINILXCLBRUEXEI-UHFFFAOYSA-N
XLogP5.42
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.42
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 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The IUPAC name of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (CID 10109296) is 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.
What is the SMILES notation for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The canonical SMILES for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is CCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12.
What is the InChIKey of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The InChIKey is INILXCLBRUEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-24-23(19-21-9-4-7-17-26(21)24)20-10-12-22(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3.
What are the key properties of 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine has a molecular weight of 362.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is sourced from PubChem (CID 10109296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).