N-methyl-1-piperidin-1-ylisoquinolin-8-amine

C15H19N3 — CID 82572813

IUPACN-methyl-1-piperidin-1-ylisoquinolin-8-amine
SMILESCNc1cccc2ccnc(N3CCCCC3)c12
InChIInChI=1S/C15H19N3/c1-16-13-7-5-6-12-8-9-17-15(14(12)13)18-10-3-2-4-11-18/h5-9,16H,2-4,10-11H2,1H3
InChIKeyOTCRDHOJBVFADC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.27
Rot. Bonds2

About N-methyl-1-piperidin-1-ylisoquinolin-8-amine

N-methyl-1-piperidin-1-ylisoquinolin-8-amine (PubChem CID 82572813) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-1-piperidin-1-ylisoquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-1-piperidin-1-ylisoquinolin-8-amine
PubChem CID82572813
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-1-piperidin-1-ylisoquinolin-8-amine
SMILESCNc1cccc2ccnc(N3CCCCC3)c12
InChIInChI=1S/C15H19N3/c1-16-13-7-5-6-12-8-9-17-15(14(12)13)18-10-3-2-4-11-18/h5-9,16H,2-4,10-11H2,1H3
InChIKeyOTCRDHOJBVFADC-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-ylisoquinolin-8-ol
CID 136699648
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1-morpholin-4-ylisoquinolin-8-ol
CID 136699716
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
CID 82572504
N-methyl-2-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 103303592
7-piperidin-1-ylthieno[2,3-c]pyridine
CID 174188169
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
1-piperidin-1-yl-N-propan-2-ylisoquinolin-7-amine
CID 82572785
N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 58328733
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-1-ylisoquinolin-8-amine?
The IUPAC name of N-methyl-1-piperidin-1-ylisoquinolin-8-amine (CID 82572813) is N-methyl-1-piperidin-1-ylisoquinolin-8-amine.
What is the SMILES notation for N-methyl-1-piperidin-1-ylisoquinolin-8-amine?
The canonical SMILES for N-methyl-1-piperidin-1-ylisoquinolin-8-amine is CNc1cccc2ccnc(N3CCCCC3)c12.
What is the InChIKey of N-methyl-1-piperidin-1-ylisoquinolin-8-amine?
The InChIKey is OTCRDHOJBVFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-13-7-5-6-12-8-9-17-15(14(12)13)18-10-3-2-4-11-18/h5-9,16H,2-4,10-11H2,1H3.
What are the key properties of N-methyl-1-piperidin-1-ylisoquinolin-8-amine?
N-methyl-1-piperidin-1-ylisoquinolin-8-amine has a molecular weight of 241.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-1-ylisoquinolin-8-amine is sourced from PubChem (CID 82572813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).