4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine

C15H22N2O — CID 117368648

IUPAC4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C15H22N2O/c1-17-7-8-18-15-10-12(4-5-14(15)17)9-13-3-2-6-16-11-13/h4-5,10,13,16H,2-3,6-9,11H2,1H3
InChIKeyIIGYNGANHDGKBV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.06
Rot. Bonds2

About 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine

4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117368648) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117368648
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C15H22N2O/c1-17-7-8-18-15-10-12(4-5-14(15)17)9-13-3-2-6-16-11-13/h4-5,10,13,16H,2-3,6-9,11H2,1H3
InChIKeyIIGYNGANHDGKBV-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 82340146
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
4-methyl-6-(piperidin-3-ylmethyl)-3H-1,4-benzoxazin-2-one;hydrochloride
CID 68949647
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569
3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
CID 117397213
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
CID 82340228
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474
4-methyl-7-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 170869910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine (CID 117368648) is 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine is CN1CCOc2cc(CC3CCCNC3)ccc21.
What is the InChIKey of 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is IIGYNGANHDGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-7-8-18-15-10-12(4-5-14(15)17)9-13-3-2-6-16-11-13/h4-5,10,13,16H,2-3,6-9,11H2,1H3.
What are the key properties of 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 246.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117368648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).