1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine

C10H17N3 — CID 22636472

IUPAC1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CCN2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-4,11H,5-9H2,1H3
InChIKeyYVQQVEYMFIYETP-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.23
Rot. Bonds1

About 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine

1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine (PubChem CID 22636472) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine
PubChem CID22636472
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CCN2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-4,11H,5-9H2,1H3
InChIKeyYVQQVEYMFIYETP-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine?
The IUPAC name of 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine (CID 22636472) is 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine is CN1CCN(C2=CC=CCN2)CC1.
What is the InChIKey of 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine?
The InChIKey is YVQQVEYMFIYETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-4,11H,5-9H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine?
1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine has a molecular weight of 179.27 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-6-yl)-4-methylpiperazine is sourced from PubChem (CID 22636472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).