4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one

C12H25N3O — CID 107446479

IUPAC4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)NCCN1CCNC(=O)C1(C)C
InChIInChI=1S/C12H25N3O/c1-11(2,3)14-7-9-15-8-6-13-10(16)12(15,4)5/h14H,6-9H2,1-5H3,(H,13,16)
InChIKeyDAUPKKZCZDSXRB-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds3

About 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one

4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 107446479) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one
PubChem CID107446479
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)NCCN1CCNC(=O)C1(C)C
InChIInChI=1S/C12H25N3O/c1-11(2,3)14-7-9-15-8-6-13-10(16)12(15,4)5/h14H,6-9H2,1-5H3,(H,13,16)
InChIKeyDAUPKKZCZDSXRB-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one (CID 107446479) is 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one is CC(C)(C)NCCN1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is DAUPKKZCZDSXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,3)14-7-9-15-8-6-13-10(16)12(15,4)5/h14H,6-9H2,1-5H3,(H,13,16).
What are the key properties of 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one?
4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 227.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 107446479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).