6-methoxy-N-piperidin-4-ylisoquinolin-5-amine

C15H19N3O — CID 82582664

IUPAC6-methoxy-N-piperidin-4-ylisoquinolin-5-amine
SMILESCOc1ccc2cnccc2c1NC1CCNCC1
InChIInChI=1S/C15H19N3O/c1-19-14-3-2-11-10-17-9-6-13(11)15(14)18-12-4-7-16-8-5-12/h2-3,6,9-10,12,16,18H,4-5,7-8H2,1H3
InChIKeyLBENBUNEMPHFFC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds3

About 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine

6-methoxy-N-piperidin-4-ylisoquinolin-5-amine (PubChem CID 82582664) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine.

Molecular Properties

Compound Name6-methoxy-N-piperidin-4-ylisoquinolin-5-amine
PubChem CID82582664
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methoxy-N-piperidin-4-ylisoquinolin-5-amine
SMILESCOc1ccc2cnccc2c1NC1CCNCC1
InChIInChI=1S/C15H19N3O/c1-19-14-3-2-11-10-17-9-6-13(11)15(14)18-12-4-7-16-8-5-12/h2-3,6,9-10,12,16,18H,4-5,7-8H2,1H3
InChIKeyLBENBUNEMPHFFC-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

N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
7-methoxy-N-methylisoquinolin-8-amine
CID 82582632
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 86618550
2-heptyl-N-(6-methoxyisoquinolin-5-yl)nonanamide
CID 19027898
3,5-dichloro-N-piperidin-4-ylpyridin-4-amine
CID 134359724
6-methoxyisoquinoline-5-carboxamide
CID 82573912
5-(3-methylsulfonylphenyl)-6-piperidin-4-yloxyisoquinoline;hydrochloride
CID 162307279
8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560550
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride
CID 44596838

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine?
The IUPAC name of 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine (CID 82582664) is 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine.
What is the SMILES notation for 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine?
The canonical SMILES for 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine is COc1ccc2cnccc2c1NC1CCNCC1.
What is the InChIKey of 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine?
The InChIKey is LBENBUNEMPHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-3-2-11-10-17-9-6-13(11)15(14)18-12-4-7-16-8-5-12/h2-3,6,9-10,12,16,18H,4-5,7-8H2,1H3.
What are the key properties of 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine?
6-methoxy-N-piperidin-4-ylisoquinolin-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 6-methoxy-N-piperidin-4-ylisoquinolin-5-amine is sourced from PubChem (CID 82582664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).