5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C18H27N3 — CID 81218421

IUPAC5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(N3CCC(N4CCCCC4)C3)c1)CCNC2
InChIInChI=1S/C18H27N3/c1-2-10-20(11-3-1)16-8-12-21(14-16)18-6-4-5-15-13-19-9-7-17(15)18/h4-6,16,19H,1-3,7-14H2
InChIKeyIRFAKEJDDQVZNB-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.40
Rot. Bonds2

About 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81218421) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81218421
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(N3CCC(N4CCCCC4)C3)c1)CCNC2
InChIInChI=1S/C18H27N3/c1-2-10-20(11-3-1)16-8-12-21(14-16)18-6-4-5-15-13-19-9-7-17(15)18/h4-6,16,19H,1-3,7-14H2
InChIKeyIRFAKEJDDQVZNB-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(oxetan-3-yl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 146398294
5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81215388
5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214550
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,4-oxazepane
CID 81215541
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
5-(4-methyl-3-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 142416939
5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 80554836
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 81218405
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
2-chloro-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170073

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81218421) is 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(N3CCC(N4CCCCC4)C3)c1)CCNC2.
What is the InChIKey of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IRFAKEJDDQVZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-10-20(11-3-1)16-8-12-21(14-16)18-6-4-5-15-13-19-9-7-17(15)18/h4-6,16,19H,1-3,7-14H2.
What are the key properties of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 285.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).