1-piperazin-1-ylisoquinolin-5-amine

C13H16N4 — CID 82570237

IUPAC1-piperazin-1-ylisoquinolin-5-amine
SMILESNc1cccc2c(N3CCNCC3)nccc12
InChIInChI=1S/C13H16N4/c14-12-3-1-2-11-10(12)4-5-16-13(11)17-8-6-15-7-9-17/h1-5,15H,6-9,14H2
InChIKeyMVBQDQYLPNUCIJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.23
Rot. Bonds1

About 1-piperazin-1-ylisoquinolin-5-amine

1-piperazin-1-ylisoquinolin-5-amine (PubChem CID 82570237) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-piperazin-1-ylisoquinolin-5-amine.

Molecular Properties

Compound Name1-piperazin-1-ylisoquinolin-5-amine
PubChem CID82570237
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-piperazin-1-ylisoquinolin-5-amine
SMILESNc1cccc2c(N3CCNCC3)nccc12
InChIInChI=1S/C13H16N4/c14-12-3-1-2-11-10(12)4-5-16-13(11)17-8-6-15-7-9-17/h1-5,15H,6-9,14H2
InChIKeyMVBQDQYLPNUCIJ-UHFFFAOYSA-N
XLogP1.23
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-diazepan-1-yl)isoquinoline-5-carbonitrile
CID 82570971
1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
CID 82570609
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
5-piperazin-1-ylquinoline
CID 10656226
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
1-(azetidin-1-yl)-5-propan-2-ylisoquinoline
CID 176668172
6-ethyl-1-piperazin-1-ylisoquinoline
CID 82276441
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylisoquinolin-5-amine?
The IUPAC name of 1-piperazin-1-ylisoquinolin-5-amine (CID 82570237) is 1-piperazin-1-ylisoquinolin-5-amine.
What is the SMILES notation for 1-piperazin-1-ylisoquinolin-5-amine?
The canonical SMILES for 1-piperazin-1-ylisoquinolin-5-amine is Nc1cccc2c(N3CCNCC3)nccc12.
What is the InChIKey of 1-piperazin-1-ylisoquinolin-5-amine?
The InChIKey is MVBQDQYLPNUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-12-3-1-2-11-10(12)4-5-16-13(11)17-8-6-15-7-9-17/h1-5,15H,6-9,14H2.
What are the key properties of 1-piperazin-1-ylisoquinolin-5-amine?
1-piperazin-1-ylisoquinolin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylisoquinolin-5-amine is sourced from PubChem (CID 82570237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).