5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine

C14H21N3O — CID 82232288

IUPAC5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c(N2CCNCC2)c2c1NCCO2
InChIInChI=1S/C14H21N3O/c1-10-9-11(2)13(17-6-3-15-4-7-17)14-12(10)16-5-8-18-14/h9,15-16H,3-8H2,1-2H3
InChIKeyQFMHEDBWLOGPFD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds1

About 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine

5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82232288) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82232288
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c(N2CCNCC2)c2c1NCCO2
InChIInChI=1S/C14H21N3O/c1-10-9-11(2)13(17-6-3-15-4-7-17)14-12(10)16-5-8-18-14/h9,15-16H,3-8H2,1-2H3
InChIKeyQFMHEDBWLOGPFD-UHFFFAOYSA-N
XLogP1.52
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)piperazine
CID 67282649
8-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 94980195
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296
6,7,9-trimethyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229965
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
5-chloro-7-fluoro-3-methyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 162345509
2,4-dimethyl-5-piperazin-1-ylaniline
CID 4738791
6-chloro-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001894
3-methyl-2-piperazin-1-ylaniline
CID 23079646
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 82232288) is 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c(N2CCNCC2)c2c1NCCO2.
What is the InChIKey of 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is QFMHEDBWLOGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-11(2)13(17-6-3-15-4-7-17)14-12(10)16-5-8-18-14/h9,15-16H,3-8H2,1-2H3.
What are the key properties of 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine?
5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 247.34 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-8-piperazin-1-yl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82232288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).