4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine

C15H22N2O — CID 117368646

IUPAC4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(CC3CCCCN3)cccc21
InChIInChI=1S/C15H22N2O/c1-17-9-10-18-15-12(5-4-7-14(15)17)11-13-6-2-3-8-16-13/h4-5,7,13,16H,2-3,6,8-11H2,1H3
InChIKeyWJIDDWNZBXTQRC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds2

About 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine

4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117368646) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117368646
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(CC3CCCCN3)cccc21
InChIInChI=1S/C15H22N2O/c1-17-9-10-18-15-12(5-4-7-14(15)17)11-13-6-2-3-8-16-13/h4-5,7,13,16H,2-3,6,8-11H2,1H3
InChIKeyWJIDDWNZBXTQRC-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504
2-[[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]methyl]pyrrolidine
CID 117485440
2-[(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117440973
2-[(7-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
CID 117411537
1-methyl-7-(pyrrolidin-2-ylmethyl)indole
CID 82613446
7-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117308311
2-(piperidin-2-ylmethyl)aniline
CID 84662844
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole
CID 117414218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine (CID 117368646) is 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine is CN1CCOc2c(CC3CCCCN3)cccc21.
What is the InChIKey of 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is WJIDDWNZBXTQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-9-10-18-15-12(5-4-7-14(15)17)11-13-6-2-3-8-16-13/h4-5,7,13,16H,2-3,6,8-11H2,1H3.
What are the key properties of 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 246.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117368646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).