4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline

C15H22N2 — CID 115104880

IUPAC4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2CCN1CCCC1
InChIInChI=1S/C15H22N2/c1-2-6-15-13(5-1)11-16-12-14(15)7-10-17-8-3-4-9-17/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyMWLBMKOFUAGXLE-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.36
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline

4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104880) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104880
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2CCN1CCCC1
InChIInChI=1S/C15H22N2/c1-2-6-15-13(5-1)11-16-12-14(15)7-10-17-8-3-4-9-17/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyMWLBMKOFUAGXLE-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
CID 115105112
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
1-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole
CID 115105193
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504964
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505002
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
N-[2-(azepan-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981782
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline (CID 115104880) is 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2CCN1CCCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MWLBMKOFUAGXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-6-15-13(5-1)11-16-12-14(15)7-10-17-8-3-4-9-17/h1-2,5-6,14,16H,3-4,7-12H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).