1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane

C12H23N3 — CID 170605103

IUPAC1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h3,9H,2,4-8H2,1H3;1-2H3
InChIKeyHZVFVSYFUUVJAU-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.62
Rot. Bonds1

About 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane

1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane (PubChem CID 170605103) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane
PubChem CID170605103
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2=CCCN=C2)CC1
InChIInChI=1S/C10H17N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h3,9H,2,4-8H2,1H3;1-2H3
InChIKeyHZVFVSYFUUVJAU-UHFFFAOYSA-N
XLogP1.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
4-Methyl-7-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 90746711
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
1-methyl-4-[(E)-pent-2-en-2-yl]piperazine
CID 139449171
N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 142275858
(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 142400462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane (CID 170605103) is 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane is CC.CN1CCN(C2=CCCN=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane?
The InChIKey is HZVFVSYFUUVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;1-2/h3,9H,2,4-8H2,1H3;1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane?
1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane has a molecular weight of 209.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)-4-methylpiperazine;ethane is sourced from PubChem (CID 170605103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).