5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C16H25N3 — CID 81214746

IUPAC5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(c2cccc3c2CCNC3)CC1(C)C
InChIInChI=1S/C16H25N3/c1-16(2)12-19(10-9-18(16)3)15-6-4-5-13-11-17-8-7-14(13)15/h4-6,17H,7-12H2,1-3H3
InChIKeyJGRZRZFAEDGGJA-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.86
Rot. Bonds1

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

5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81214746) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81214746
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(c2cccc3c2CCNC3)CC1(C)C
InChIInChI=1S/C16H25N3/c1-16(2)12-19(10-9-18(16)3)15-6-4-5-13-11-17-8-7-14(13)15/h4-6,17H,7-12H2,1-3H3
InChIKeyJGRZRZFAEDGGJA-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81214746) is 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CN1CCN(c2cccc3c2CCNC3)CC1(C)C.
What is the InChIKey of 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JGRZRZFAEDGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2)12-19(10-9-18(16)3)15-6-4-5-13-11-17-8-7-14(13)15/h4-6,17H,7-12H2,1-3H3.
What are the key properties of 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.40 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81214746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).