2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

C15H22N2O2 — CID 102963813

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOC1CCCN(CC2CNc3ccccc3O2)C1
InChIInChI=1S/C15H22N2O2/c1-18-12-5-4-8-17(10-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyVNCSBVDPNHAGMA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 102963813) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID102963813
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOC1CCCN(CC2CNc3ccccc3O2)C1
InChIInChI=1S/C15H22N2O2/c1-18-12-5-4-8-17(10-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyVNCSBVDPNHAGMA-UHFFFAOYSA-N
XLogP1.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199391
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 64596935
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43620468
2-[(4,4-dimethylazepan-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 65282637
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
CID 62545756
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 63026490
2-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 23029797
2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199722
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 102963813) is 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is COC1CCCN(CC2CNc3ccccc3O2)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VNCSBVDPNHAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-12-5-4-8-17(10-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3.
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 262.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 102963813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).