1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine

C12H21N3 — CID 129260234

IUPAC1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=NCCC=C2)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3,5,11H,4,6-10H2,1-2H3
InChIKeyCTUORYSFKDCHLP-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.37
Rot. Bonds1

About 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine

1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine (PubChem CID 129260234) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine
PubChem CID129260234
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=NCCC=C2)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3,5,11H,4,6-10H2,1-2H3
InChIKeyCTUORYSFKDCHLP-UHFFFAOYSA-N
XLogP1.37
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.37
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-6-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine (CID 129260234) is 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=NCCC=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine?
The InChIKey is CTUORYSFKDCHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3,5,11H,4,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine?
1-(2,3-dihydropyridin-6-yl)-4-propan-2-ylpiperazine has a molecular weight of 207.32 g/mol, XLogP of 1.37, 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-6-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 129260234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).