4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine

C13H28N2 — CID 70790415

IUPAC4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)(C)C)CC1C(C)C
InChIInChI=1S/C13H28N2/c1-7-14-8-9-15(13(4,5)6)10-12(14)11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyUFNAWXRAMWXURV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds2

About 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine

4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine (PubChem CID 70790415) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
PubChem CID70790415
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)(C)C)CC1C(C)C
InChIInChI=1S/C13H28N2/c1-7-14-8-9-15(13(4,5)6)10-12(14)11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyUFNAWXRAMWXURV-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine (CID 70790415) is 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine is CCN1CCN(C(C)(C)C)CC1C(C)C.
What is the InChIKey of 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine?
The InChIKey is UFNAWXRAMWXURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-14-8-9-15(13(4,5)6)10-12(14)11(2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine?
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 70790415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).