4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one

C15H23N3O — CID 16790701

IUPAC4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
SMILESCc1cc(C)c(C(N)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-6-11(2)15(12(3)7-10)13(16)8-18-5-4-17-14(19)9-18/h6-7,13H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyIZSBWPXBVWBPGY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.04
Rot. Bonds3

About 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one

4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one (PubChem CID 16790701) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
PubChem CID16790701
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
SMILESCc1cc(C)c(C(N)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-6-11(2)15(12(3)7-10)13(16)8-18-5-4-17-14(19)9-18/h6-7,13H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyIZSBWPXBVWBPGY-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The IUPAC name of 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one (CID 16790701) is 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one is Cc1cc(C)c(C(N)CN2CCNC(=O)C2)c(C)c1.
What is the InChIKey of 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The InChIKey is IZSBWPXBVWBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-11(2)15(12(3)7-10)13(16)8-18-5-4-17-14(19)9-18/h6-7,13H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 16790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).