7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline

C15H23N3 — CID 115104784

IUPAC7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1CCN1CCNCC1)CNCC2
InChIInChI=1S/C15H23N3/c1-2-14-3-5-17-12-15(14)11-13(1)4-8-18-9-6-16-7-10-18/h1-2,11,16-17H,3-10,12H2
InChIKeyVUKNZUTZXSZFKS-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.78
Rot. Bonds3

About 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline

7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104784) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104784
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1CCN1CCNCC1)CNCC2
InChIInChI=1S/C15H23N3/c1-2-14-3-5-17-12-15(14)11-13(1)4-8-18-9-6-16-7-10-18/h1-2,11,16-17H,3-10,12H2
InChIKeyVUKNZUTZXSZFKS-UHFFFAOYSA-N
XLogP0.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
1-[2-(3,4-dihydro-1H-isochromen-7-yl)ethyl]piperazine
CID 117368764
1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
CID 117368763
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
CID 82263573
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline (CID 115104784) is 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(cc1CCN1CCNCC1)CNCC2.
What is the InChIKey of 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VUKNZUTZXSZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-14-3-5-17-12-15(14)11-13(1)4-8-18-9-6-16-7-10-18/h1-2,11,16-17H,3-10,12H2.
What are the key properties of 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline?
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).