N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine

C21H23N3 — CID 10245293

IUPACN-(1-benzylpiperidin-3-yl)isoquinolin-5-amine
SMILESc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1
InChIInChI=1S/C21H23N3/c1-2-6-17(7-3-1)15-24-13-5-9-19(16-24)23-21-10-4-8-18-14-22-12-11-20(18)21/h1-4,6-8,10-12,14,19,23H,5,9,13,15-16H2
InChIKeyGINGXEDINFQTEZ-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.31
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine

N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine (PubChem CID 10245293) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)isoquinolin-5-amine
PubChem CID10245293
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-(1-benzylpiperidin-3-yl)isoquinolin-5-amine
SMILESc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1
InChIInChI=1S/C21H23N3/c1-2-6-17(7-3-1)15-24-13-5-9-19(16-24)23-21-10-4-8-18-14-22-12-11-20(18)21/h1-4,6-8,10-12,14,19,23H,5,9,13,15-16H2
InChIKeyGINGXEDINFQTEZ-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine (CID 10245293) is N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine is c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine?
The InChIKey is GINGXEDINFQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-6-17(7-3-1)15-24-13-5-9-19(16-24)23-21-10-4-8-18-14-22-12-11-20(18)21/h1-4,6-8,10-12,14,19,23H,5,9,13,15-16H2.
What are the key properties of N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine?
N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine has a molecular weight of 317.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)isoquinolin-5-amine is sourced from PubChem (CID 10245293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).