1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine

C17H23N3 — CID 82572785

IUPAC1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine
SMILESCC(C)Nc1ccc2ccnc(N3CCCCC3)c2c1
InChIInChI=1S/C17H23N3/c1-13(2)19-15-7-6-14-8-9-18-17(16(14)12-15)20-10-4-3-5-11-20/h6-9,12-13,19H,3-5,10-11H2,1-2H3
InChIKeyUZGZEELZJYLQSL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.05
Rot. Bonds3

About 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine

1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine (PubChem CID 82572785) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine
PubChem CID82572785
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine
SMILESCC(C)Nc1ccc2ccnc(N3CCCCC3)c2c1
InChIInChI=1S/C17H23N3/c1-13(2)19-15-7-6-14-8-9-18-17(16(14)12-15)20-10-4-3-5-11-20/h6-9,12-13,19H,3-5,10-11H2,1-2H3
InChIKeyUZGZEELZJYLQSL-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine?
The IUPAC name of 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine (CID 82572785) is 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine?
The canonical SMILES for 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine is CC(C)Nc1ccc2ccnc(N3CCCCC3)c2c1.
What is the InChIKey of 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine?
The InChIKey is UZGZEELZJYLQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)19-15-7-6-14-8-9-18-17(16(14)12-15)20-10-4-3-5-11-20/h6-9,12-13,19H,3-5,10-11H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine?
1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine has a molecular weight of 269.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine is sourced from PubChem (CID 82572785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).