N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine

C15H19N3O — CID 82572626

IUPACN-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
SMILESCNc1cccc2c(OC3CCNCC3)nccc12
InChIInChI=1S/C15H19N3O/c1-16-14-4-2-3-13-12(14)7-10-18-15(13)19-11-5-8-17-9-6-11/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3
InChIKeyHSWSFHULSPDGJG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine

N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine (PubChem CID 82572626) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
PubChem CID82572626
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
SMILESCNc1cccc2c(OC3CCNCC3)nccc12
InChIInChI=1S/C15H19N3O/c1-16-14-4-2-3-13-12(14)7-10-18-15(13)19-11-5-8-17-9-6-11/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3
InChIKeyHSWSFHULSPDGJG-UHFFFAOYSA-N
XLogP2.41
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
CID 82572627
5-bromo-1-pyrrolidin-3-yloxyisoquinoline
CID 106541999
N-cyclopentyl-1-ethoxyisoquinolin-5-amine
CID 82572606
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
2-piperidin-4-yloxypyrimidine
CID 3836732
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
ethane;2-piperidin-4-yloxypyridine
CID 142889945
2-(2-phenoxyethoxy)-3-piperidin-4-yloxypyrazine
CID 22036490
1-(piperidin-4-ylmethoxy)isoquinoline-5-carbonitrile
CID 82569770

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine?
The IUPAC name of N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine (CID 82572626) is N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine.
What is the SMILES notation for N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine?
The canonical SMILES for N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine is CNc1cccc2c(OC3CCNCC3)nccc12.
What is the InChIKey of N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine?
The InChIKey is HSWSFHULSPDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-14-4-2-3-13-12(14)7-10-18-15(13)19-11-5-8-17-9-6-11/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3.
What are the key properties of N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine?
N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine is sourced from PubChem (CID 82572626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).