9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline

C25H31N3O — CID 87439588

IUPAC9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
SMILESc1cncc(C2=c3ccc(OCCCN4CCCCC4)cc3=C3CCCN3C2)c1
InChIInChI=1S/C25H31N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18H,1-3,5-6,8,12-16,19H2
InChIKeySVQJEBHIGAGZQK-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.75
Rot. Bonds6

About 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline

9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline (PubChem CID 87439588) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
PubChem CID87439588
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
SMILESc1cncc(C2=c3ccc(OCCCN4CCCCC4)cc3=C3CCCN3C2)c1
InChIInChI=1S/C25H31N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18H,1-3,5-6,8,12-16,19H2
InChIKeySVQJEBHIGAGZQK-UHFFFAOYSA-N
XLogP2.75
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline with MolForge

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Related Compounds

6-(3-iodophenyl)-9-(3-piperidin-1-ylpropoxy)-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
CID 87439574
4-[3-[[6-(4-pyrazol-1-ylphenyl)-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]propyl]morpholine
CID 87439314
2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 11710352
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(6R,10bS)-9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 67542598
3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
CID 21198085
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol
CID 51003630
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855

Frequently Asked Questions

What is the IUPAC name of 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline (CID 87439588) is 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline is c1cncc(C2=c3ccc(OCCCN4CCCCC4)cc3=C3CCCN3C2)c1.
What is the InChIKey of 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is SVQJEBHIGAGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18H,1-3,5-6,8,12-16,19H2.
What are the key properties of 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline?
9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 389.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 87439588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).