N-(1-methylpiperidin-4-yl)isoquinolin-5-amine

C15H19N3 — CID 43681291

IUPACN-(1-methylpiperidin-4-yl)isoquinolin-5-amine
SMILESCN1CCC(Nc2cccc3cnccc23)CC1
InChIInChI=1S/C15H19N3/c1-18-9-6-13(7-10-18)17-15-4-2-3-12-11-16-8-5-14(12)15/h2-5,8,11,13,17H,6-7,9-10H2,1H3
InChIKeyYKRJXRKCKQOVPT-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)isoquinolin-5-amine

N-(1-methylpiperidin-4-yl)isoquinolin-5-amine (PubChem CID 43681291) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)isoquinolin-5-amine
PubChem CID43681291
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1-methylpiperidin-4-yl)isoquinolin-5-amine
SMILESCN1CCC(Nc2cccc3cnccc23)CC1
InChIInChI=1S/C15H19N3/c1-18-9-6-13(7-10-18)17-15-4-2-3-12-11-16-8-5-14(12)15/h2-5,8,11,13,17H,6-7,9-10H2,1H3
InChIKeyYKRJXRKCKQOVPT-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
CID 43780496
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 10245294
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024864
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
CID 103936581
N-[1-(pyrimidin-4-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024880

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)isoquinolin-5-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)isoquinolin-5-amine (CID 43681291) is N-(1-methylpiperidin-4-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)isoquinolin-5-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)isoquinolin-5-amine is CN1CCC(Nc2cccc3cnccc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)isoquinolin-5-amine?
The InChIKey is YKRJXRKCKQOVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-9-6-13(7-10-18)17-15-4-2-3-12-11-16-8-5-14(12)15/h2-5,8,11,13,17H,6-7,9-10H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)isoquinolin-5-amine?
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)isoquinolin-5-amine is sourced from PubChem (CID 43681291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).