6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C16H25N3 — CID 115104815

IUPAC6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(CCc2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C16H25N3/c1-18-8-10-19(11-9-18)7-5-14-2-3-16-13-17-6-4-15(16)12-14/h2-3,12,17H,4-11,13H2,1H3
InChIKeyRPKPAEBLOZKBGI-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.12
Rot. Bonds3

About 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104815) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104815
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(CCc2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C16H25N3/c1-18-8-10-19(11-9-18)7-5-14-2-3-16-13-17-6-4-15(16)12-14/h2-3,12,17H,4-11,13H2,1H3
InChIKeyRPKPAEBLOZKBGI-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
CID 117368763
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 91200429
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87482046

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 115104815) is 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is CN1CCN(CCc2ccc3c(c2)CCNC3)CC1.
What is the InChIKey of 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RPKPAEBLOZKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-8-10-19(11-9-18)7-5-14-2-3-16-13-17-6-4-15(16)12-14/h2-3,12,17H,4-11,13H2,1H3.
What are the key properties of 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).