9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

C20H30N2O — CID 143379957

IUPAC9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)C1CCCN1CC2
InChIInChI=1S/C20H30N2O/c1-2-10-21(11-3-1)12-5-15-23-18-8-7-17-9-14-22-13-4-6-20(22)19(17)16-18/h7-8,16,20H,1-6,9-15H2
InChIKeyMUSIYBKGGQIANI-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.63
Rot. Bonds5

About 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (PubChem CID 143379957) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
PubChem CID143379957
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)C1CCCN1CC2
InChIInChI=1S/C20H30N2O/c1-2-10-21(11-3-1)12-5-15-23-18-8-7-17-9-14-22-13-4-6-20(22)19(17)16-18/h7-8,16,20H,1-6,9-15H2
InChIKeyMUSIYBKGGQIANI-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.63
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 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CID 143379957) is 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is c1cc2c(cc1OCCCN1CCCCC1)C1CCCN1CC2.
What is the InChIKey of 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is MUSIYBKGGQIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-10-21(11-3-1)12-5-15-23-18-8-7-17-9-14-22-13-4-6-20(22)19(17)16-18/h7-8,16,20H,1-6,9-15H2.
What are the key properties of 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 314.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 143379957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).