1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one

C16H33N3O — CID 12581008

IUPAC1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1
InChIInChI=1S/C16H33N3O/c1-13(2,3)17-10-16(9)11-19(14(4,5)6)12(20)15(7,8)18-16/h17-18H,10-11H2,1-9H3
InChIKeyRXKZPRBDVOINSO-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.14
Rot. Bonds2

About 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one

1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one (PubChem CID 12581008) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one
PubChem CID12581008
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1
InChIInChI=1S/C16H33N3O/c1-13(2,3)17-10-16(9)11-19(14(4,5)6)12(20)15(7,8)18-16/h17-18H,10-11H2,1-9H3
InChIKeyRXKZPRBDVOINSO-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one (CID 12581008) is 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one is CC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C(C)(C)N1.
What is the InChIKey of 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one?
The InChIKey is RXKZPRBDVOINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2,3)17-10-16(9)11-19(14(4,5)6)12(20)15(7,8)18-16/h17-18H,10-11H2,1-9H3.
What are the key properties of 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one?
1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one has a molecular weight of 283.46 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[(tert-butylamino)methyl]-3,3,5-trimethylpiperazin-2-one is sourced from PubChem (CID 12581008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).