4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine

C15H27N3 — CID 167027583

IUPAC4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine
SMILESCCN1CCN(C(C)(C)C)CC1C1CC=CC=N1
InChIInChI=1S/C15H27N3/c1-5-17-10-11-18(15(2,3)4)12-14(17)13-8-6-7-9-16-13/h6-7,9,13-14H,5,8,10-12H2,1-4H3
InChIKeyZJTLITNPBATYJF-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.19
Rot. Bonds2

About 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine

4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine (PubChem CID 167027583) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine
PubChem CID167027583
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine
SMILESCCN1CCN(C(C)(C)C)CC1C1CC=CC=N1
InChIInChI=1S/C15H27N3/c1-5-17-10-11-18(15(2,3)4)12-14(17)13-8-6-7-9-16-13/h6-7,9,13-14H,5,8,10-12H2,1-4H3
InChIKeyZJTLITNPBATYJF-UHFFFAOYSA-N
XLogP2.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine?
The IUPAC name of 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine (CID 167027583) is 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine.
What is the SMILES notation for 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine?
The canonical SMILES for 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine is CCN1CCN(C(C)(C)C)CC1C1CC=CC=N1.
What is the InChIKey of 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine?
The InChIKey is ZJTLITNPBATYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-17-10-11-18(15(2,3)4)12-14(17)13-8-6-7-9-16-13/h6-7,9,13-14H,5,8,10-12H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine?
4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine has a molecular weight of 249.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,3-dihydropyridin-2-yl)-1-ethylpiperazine is sourced from PubChem (CID 167027583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).