4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

C20H25N3O — CID 83523743

IUPAC4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(Cc2ccccc2)c2cccc(N3CCNCC3)c2O1
InChIInChI=1S/C20H25N3O/c1-16-14-23(15-17-6-3-2-4-7-17)19-9-5-8-18(20(19)24-16)22-12-10-21-11-13-22/h2-9,16,21H,10-15H2,1H3
InChIKeyBXVHTHGRLLXEQO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.88
Rot. Bonds3

About 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 83523743) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID83523743
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(Cc2ccccc2)c2cccc(N3CCNCC3)c2O1
InChIInChI=1S/C20H25N3O/c1-16-14-23(15-17-6-3-2-4-7-17)19-9-5-8-18(20(19)24-16)22-12-10-21-11-13-22/h2-9,16,21H,10-15H2,1H3
InChIKeyBXVHTHGRLLXEQO-UHFFFAOYSA-N
XLogP2.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
CID 10382444
3-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid
CID 82025085
8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 120849021
2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
CID 117007387
2-methyl-8-piperazin-1-yl-4-propyl-1,4-benzoxazin-3-one
CID 82018905
5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid
CID 82025087
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-chlorophenyl)piperazine
CID 162116490
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
CID 135054757

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine (CID 83523743) is 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine is CC1CN(Cc2ccccc2)c2cccc(N3CCNCC3)c2O1.
What is the InChIKey of 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is BXVHTHGRLLXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-14-23(15-17-6-3-2-4-7-17)19-9-5-8-18(20(19)24-16)22-12-10-21-11-13-22/h2-9,16,21H,10-15H2,1H3.
What are the key properties of 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 323.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 83523743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).