3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine

C17H25N3 — CID 145101580

IUPAC3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(C2=NCCc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2
InChIKeyONKSKOMOQRKJJL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.09
Rot. Bonds4

About 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine

3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine (PubChem CID 145101580) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
PubChem CID145101580
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(C2=NCCc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2
InChIKeyONKSKOMOQRKJJL-UHFFFAOYSA-N
XLogP2.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine 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 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine (CID 145101580) is 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine is NCCCN1CCC(C2=NCCc3ccccc32)CC1.
What is the InChIKey of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is ONKSKOMOQRKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2.
What are the key properties of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 145101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).