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

C17H26N2 — CID 114593554

IUPAC4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CC(C)C(C)N(C2CNCc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-12-8-13(2)14(3)19(11-12)17-10-18-9-15-6-4-5-7-16(15)17/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyRAAPHSSUSWGUDY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.20
Rot. Bonds1

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

4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114593554) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID114593554
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CC(C)C(C)N(C2CNCc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-12-8-13(2)14(3)19(11-12)17-10-18-9-15-6-4-5-7-16(15)17/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyRAAPHSSUSWGUDY-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 114593554) is 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC1CC(C)C(C)N(C2CNCc3ccccc32)C1.
What is the InChIKey of 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RAAPHSSUSWGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-8-13(2)14(3)19(11-12)17-10-18-9-15-6-4-5-7-16(15)17/h4-7,12-14,17-18H,8-11H2,1-3H3.
What are the key properties of 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 114593554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).