(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine

C16H21N3O2 — CID 106541180

IUPAC(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
SMILESCOc1cc2ccnc(N3CCC[C@@H](N)C3)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-14-8-11-5-6-18-16(13(11)9-15(14)21-2)19-7-3-4-12(17)10-19/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3/t12-/m1/s1
InChIKeySLYNNKMXZCFLQH-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.18
Rot. Bonds3

About (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine

(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine (PubChem CID 106541180) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
PubChem CID106541180
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
SMILESCOc1cc2ccnc(N3CCC[C@@H](N)C3)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-14-8-11-5-6-18-16(13(11)9-15(14)21-2)19-7-3-4-12(17)10-19/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3/t12-/m1/s1
InChIKeySLYNNKMXZCFLQH-GFCCVEGCSA-N
XLogP2.18
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine (CID 106541180) is (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine is COc1cc2ccnc(N3CCC[C@@H](N)C3)c2cc1OC.
What is the InChIKey of (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine?
The InChIKey is SLYNNKMXZCFLQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-8-11-5-6-18-16(13(11)9-15(14)21-2)19-7-3-4-12(17)10-19/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine?
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine has a molecular weight of 287.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine is sourced from PubChem (CID 106541180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).