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

C23H28N2O — CID 10132505

IUPAC1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12
InChIInChI=1S/C23H28N2O/c1-19-22(18-25-16-6-3-8-23(19)25)20-9-11-21(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3
InChIKeyGGPIOTGDYGYNCP-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.17
Rot. Bonds6

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

1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (PubChem CID 10132505) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.

Molecular Properties

Compound Name1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
PubChem CID10132505
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12
InChIInChI=1S/C23H28N2O/c1-19-22(18-25-16-6-3-8-23(19)25)20-9-11-21(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3
InChIKeyGGPIOTGDYGYNCP-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 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The IUPAC name of 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (CID 10132505) is 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.
What is the SMILES notation for 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The canonical SMILES for 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is Cc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12.
What is the InChIKey of 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The InChIKey is GGPIOTGDYGYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19-22(18-25-16-6-3-8-23(19)25)20-9-11-21(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3.
What are the key properties of 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
1-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 1-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is sourced from PubChem (CID 10132505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).