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

C30H34N2O — CID 10114059

IUPAC1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESc1ccc(CCc2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1
InChIInChI=1S/C30H34N2O/c1-3-10-25(11-4-1)13-18-28-29(24-32-22-8-5-12-30(28)32)26-14-16-27(17-15-26)33-23-9-21-31-19-6-2-7-20-31/h1,3-5,8,10-12,14-17,22,24H,2,6-7,9,13,18-21,23H2
InChIKeyUHAPCEXNBHGPIV-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.65
Rot. Bonds9

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

1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (PubChem CID 10114059) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
PubChem CID10114059
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine
SMILESc1ccc(CCc2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1
InChIInChI=1S/C30H34N2O/c1-3-10-25(11-4-1)13-18-28-29(24-32-22-8-5-12-30(28)32)26-14-16-27(17-15-26)33-23-9-21-31-19-6-2-7-20-31/h1,3-5,8,10-12,14-17,22,24H,2,6-7,9,13,18-21,23H2
InChIKeyUHAPCEXNBHGPIV-UHFFFAOYSA-N
XLogP6.65
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.65
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-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The IUPAC name of 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine (CID 10114059) is 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine.
What is the SMILES notation for 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The canonical SMILES for 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is c1ccc(CCc2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1.
What is the InChIKey of 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
The InChIKey is UHAPCEXNBHGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c1-3-10-25(11-4-1)13-18-28-29(24-32-22-8-5-12-30(28)32)26-14-16-27(17-15-26)33-23-9-21-31-19-6-2-7-20-31/h1,3-5,8,10-12,14-17,22,24H,2,6-7,9,13,18-21,23H2.
What are the key properties of 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine?
1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine has a molecular weight of 438.62 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]indolizine is sourced from PubChem (CID 10114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).