4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine

C14H25N3O — CID 70278167

IUPAC4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine
SMILESC[C@@H]1CN(C2CCC3=C(C2)OCCN3C)CCN1
InChIInChI=1S/C14H25N3O/c1-11-10-17(6-5-15-11)12-3-4-13-14(9-12)18-8-7-16(13)2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyCVOLECPQXLTEKY-JHJMLUEUSA-N
MW251.37 g/mol
LogP1.01
Rot. Bonds1

About 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine

4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine (PubChem CID 70278167) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine
PubChem CID70278167
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine
SMILESC[C@@H]1CN(C2CCC3=C(C2)OCCN3C)CCN1
InChIInChI=1S/C14H25N3O/c1-11-10-17(6-5-15-11)12-3-4-13-14(9-12)18-8-7-16(13)2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyCVOLECPQXLTEKY-JHJMLUEUSA-N
XLogP1.01
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine with MolForge

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Related Compounds

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3-methyl-1-(thiolan-3-yl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine (CID 70278167) is 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine is C[C@@H]1CN(C2CCC3=C(C2)OCCN3C)CCN1.
What is the InChIKey of 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine?
The InChIKey is CVOLECPQXLTEKY-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-10-17(6-5-15-11)12-3-4-13-14(9-12)18-8-7-16(13)2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine?
4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine has a molecular weight of 251.37 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(3R)-3-methylpiperazin-1-yl]-2,3,5,6,7,8-hexahydro-1,4-benzoxazine is sourced from PubChem (CID 70278167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).