5-piperazin-1-yl-3,4-dihydropyridin-2-amine

C9H16N4 — CID 149022675

IUPAC5-piperazin-1-yl-3,4-dihydropyridin-2-amine
SMILESNC1=NC=C(N2CCNCC2)CC1
InChIInChI=1S/C9H16N4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h7,11H,1-6H2,(H2,10,12)
InChIKeyQDTURORFPCXAOB-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.12
Rot. Bonds1

About 5-piperazin-1-yl-3,4-dihydropyridin-2-amine

5-piperazin-1-yl-3,4-dihydropyridin-2-amine (PubChem CID 149022675) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-piperazin-1-yl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-piperazin-1-yl-3,4-dihydropyridin-2-amine
PubChem CID149022675
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-piperazin-1-yl-3,4-dihydropyridin-2-amine
SMILESNC1=NC=C(N2CCNCC2)CC1
InChIInChI=1S/C9H16N4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h7,11H,1-6H2,(H2,10,12)
InChIKeyQDTURORFPCXAOB-UHFFFAOYSA-N
XLogP-0.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine
CID 142349000
1-(3,4-Dihydropyridin-5-yl)piperazine
CID 57042329
1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
N,N'-dimethyl-N'-(2-methylimino-3,4-dihydro-1H-pyridin-5-yl)ethane-1,2-diamine
CID 142925659
5-(4-Methylpiperazin-1-yl)-3,4-dihydropyridin-2-amine
CID 147628957
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3,4-dihydropyridine-2,5-diamine
CID 153631099
5-N-[2-(dimethylamino)ethyl]-5-N-methyl-3,4-dihydropyridine-2,5-diamine;ethane
CID 153631171
5-N-[2-(dimethylamino)ethyl]-5-N-methyl-3,4-dihydropyridine-2,5-diamine
CID 153631172

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3,4-dihydropyridin-2-amine?
The IUPAC name of 5-piperazin-1-yl-3,4-dihydropyridin-2-amine (CID 149022675) is 5-piperazin-1-yl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 5-piperazin-1-yl-3,4-dihydropyridin-2-amine?
The canonical SMILES for 5-piperazin-1-yl-3,4-dihydropyridin-2-amine is NC1=NC=C(N2CCNCC2)CC1.
What is the InChIKey of 5-piperazin-1-yl-3,4-dihydropyridin-2-amine?
The InChIKey is QDTURORFPCXAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h7,11H,1-6H2,(H2,10,12).
What are the key properties of 5-piperazin-1-yl-3,4-dihydropyridin-2-amine?
5-piperazin-1-yl-3,4-dihydropyridin-2-amine has a molecular weight of 180.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 149022675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).