1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine

C11H19N3 — CID 163466421

IUPAC1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine
SMILESCCC1C=NC(N2CCNCC2)=CC1
InChIInChI=1S/C11H19N3/c1-2-10-3-4-11(13-9-10)14-7-5-12-6-8-14/h4,9-10,12H,2-3,5-8H2,1H3
InChIKeyBSZKMFNWLSTHKX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.23
Rot. Bonds2

About 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine

1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine (PubChem CID 163466421) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine.

Molecular Properties

Compound Name1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine
PubChem CID163466421
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine
SMILESCCC1C=NC(N2CCNCC2)=CC1
InChIInChI=1S/C11H19N3/c1-2-10-3-4-11(13-9-10)14-7-5-12-6-8-14/h4,9-10,12H,2-3,5-8H2,1H3
InChIKeyBSZKMFNWLSTHKX-UHFFFAOYSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine?
The IUPAC name of 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine (CID 163466421) is 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine.
What is the SMILES notation for 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine?
The canonical SMILES for 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine is CCC1C=NC(N2CCNCC2)=CC1.
What is the InChIKey of 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine?
The InChIKey is BSZKMFNWLSTHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-10-3-4-11(13-9-10)14-7-5-12-6-8-14/h4,9-10,12H,2-3,5-8H2,1H3.
What are the key properties of 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine?
1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine has a molecular weight of 193.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3,4-dihydropyridin-6-yl)piperazine is sourced from PubChem (CID 163466421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).