2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine

C15H21N3O — CID 82363813

IUPAC2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(N1CCNCC1)C(C)(C)O2
InChIInChI=1S/C15H21N3O/c1-11-4-5-13-12(10-11)17-14(15(2,3)19-13)18-8-6-16-7-9-18/h4-5,10,16H,6-9H2,1-3H3
InChIKeySCTBOOCFHWVSEQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds

About 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine

2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine (PubChem CID 82363813) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine.

Molecular Properties

Compound Name2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine
PubChem CID82363813
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(N1CCNCC1)C(C)(C)O2
InChIInChI=1S/C15H21N3O/c1-11-4-5-13-12(10-11)17-14(15(2,3)19-13)18-8-6-16-7-9-18/h4-5,10,16H,6-9H2,1-3H3
InChIKeySCTBOOCFHWVSEQ-UHFFFAOYSA-N
XLogP2.10
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine?
The IUPAC name of 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine (CID 82363813) is 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine.
What is the SMILES notation for 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine?
The canonical SMILES for 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine is Cc1ccc2c(c1)N=C(N1CCNCC1)C(C)(C)O2.
What is the InChIKey of 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine?
The InChIKey is SCTBOOCFHWVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-5-13-12(10-11)17-14(15(2,3)19-13)18-8-6-16-7-9-18/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine?
2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine has a molecular weight of 259.35 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine is sourced from PubChem (CID 82363813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).