1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine

C10H17N3 — CID 173103431

IUPAC1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2C=CC=NC2)CC1
InChIInChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h2-4,10H,5-9H2,1H3
InChIKeyRYEQUHJFMPZVTL-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.24
Rot. Bonds1

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

1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine (PubChem CID 173103431) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine
PubChem CID173103431
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2C=CC=NC2)CC1
InChIInChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h2-4,10H,5-9H2,1H3
InChIKeyRYEQUHJFMPZVTL-UHFFFAOYSA-N
XLogP0.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine (CID 173103431) is 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine is CN1CCN(C2C=CC=NC2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine?
The InChIKey is RYEQUHJFMPZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine?
1-(2,3-dihydropyridin-3-yl)-4-methylpiperazine has a molecular weight of 179.27 g/mol, XLogP of 0.24, 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-3-yl)-4-methylpiperazine is sourced from PubChem (CID 173103431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).