8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine

C12H18N4 — CID 50998845

IUPAC8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine
SMILESc1cc2c(c(N3CCNCC3)n1)NCCC2
InChIInChI=1S/C12H18N4/c1-2-10-3-5-15-12(11(10)14-4-1)16-8-6-13-7-9-16/h3,5,13-14H,1-2,4,6-9H2
InChIKeyOYOCEAGGKZOLOY-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.85
Rot. Bonds1

About 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine

8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine (PubChem CID 50998845) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine
PubChem CID50998845
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine
SMILESc1cc2c(c(N3CCNCC3)n1)NCCC2
InChIInChI=1S/C12H18N4/c1-2-10-3-5-15-12(11(10)14-4-1)16-8-6-13-7-9-16/h3,5,13-14H,1-2,4,6-9H2
InChIKeyOYOCEAGGKZOLOY-UHFFFAOYSA-N
XLogP0.85
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
3-cyano-N-[2-[4-(1,2,3,4-tetrahydro-1,7-naphthyridin-8-yl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 24737617
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
3-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 84683022
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
CID 66196786
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The IUPAC name of 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine (CID 50998845) is 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine is c1cc2c(c(N3CCNCC3)n1)NCCC2.
What is the InChIKey of 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine?
The InChIKey is OYOCEAGGKZOLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10-3-5-15-12(11(10)14-4-1)16-8-6-13-7-9-16/h3,5,13-14H,1-2,4,6-9H2.
What are the key properties of 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine?
8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine has a molecular weight of 218.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-1,2,3,4-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 50998845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).