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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Related Compounds

N-Methyl-5-benzyloxyindole
CID 259196
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-4-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 16006719
(6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441067
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441071
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
N-butylharmine
CID 486624
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464

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).