5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C18H28N2 — CID 81215388

IUPAC5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C1CCN(c2cccc3c2CCNC3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)17-6-4-5-14-13-19-10-7-16(14)17/h4-6,15,19H,7-13H2,1-3H3
InChIKeyLTTKIJNQQZDXPY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.59
Rot. Bonds1

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

5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81215388) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81215388
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C1CCN(c2cccc3c2CCNC3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)17-6-4-5-14-13-19-10-7-16(14)17/h4-6,15,19H,7-13H2,1-3H3
InChIKeyLTTKIJNQQZDXPY-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81215388) is 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)C1CCN(c2cccc3c2CCNC3)CC1.
What is the InChIKey of 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LTTKIJNQQZDXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)17-6-4-5-14-13-19-10-7-16(14)17/h4-6,15,19H,7-13H2,1-3H3.
What are the key properties of 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81215388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).