4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine

C16H19N3 — CID 11777043

IUPAC4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine
SMILESC=Cc1cncc2cccc(NC3CCNCC3)c12
InChIInChI=1S/C16H19N3/c1-2-12-10-18-11-13-4-3-5-15(16(12)13)19-14-6-8-17-9-7-14/h2-5,10-11,14,17,19H,1,6-9H2
InChIKeyIPUKKTKWUIEVTQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.04
Rot. Bonds3

About 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine

4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine (PubChem CID 11777043) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine.

Molecular Properties

Compound Name4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine
PubChem CID11777043
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine
SMILESC=Cc1cncc2cccc(NC3CCNCC3)c12
InChIInChI=1S/C16H19N3/c1-2-12-10-18-11-13-4-3-5-15(16(12)13)19-14-6-8-17-9-7-14/h2-5,10-11,14,17,19H,1,6-9H2
InChIKeyIPUKKTKWUIEVTQ-UHFFFAOYSA-N
XLogP3.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-piperidin-4-ylisoquinolin-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 117073173
4-methyl-N-pyrrolidin-3-ylisoquinolin-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 117073213
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817
N-cyclohexyl-2-ethenylaniline
CID 148703005
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol
CID 10039589
ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
CID 171102953
3,5-dichloro-N-piperidin-4-ylpyridin-4-amine
CID 134359724
N-cyclopentylisoquinolin-4-amine
CID 115908742
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
CID 53319440

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine?
The IUPAC name of 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine (CID 11777043) is 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine.
What is the SMILES notation for 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine?
The canonical SMILES for 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine is C=Cc1cncc2cccc(NC3CCNCC3)c12.
What is the InChIKey of 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine?
The InChIKey is IPUKKTKWUIEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-12-10-18-11-13-4-3-5-15(16(12)13)19-14-6-8-17-9-7-14/h2-5,10-11,14,17,19H,1,6-9H2.
What are the key properties of 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine?
4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine has a molecular weight of 253.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-piperidin-4-ylisoquinolin-5-amine is sourced from PubChem (CID 11777043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).