8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

C16H24N2O2 — CID 106587385

IUPAC8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCC1CCCN(Cc2cccc3c2OCCN3)C1
InChIInChI=1S/C16H24N2O2/c1-19-12-13-4-3-8-18(10-13)11-14-5-2-6-15-16(14)20-9-7-17-15/h2,5-6,13,17H,3-4,7-12H2,1H3
InChIKeyGIZREPFWEXZOSS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds4

About 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 106587385) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID106587385
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOCC1CCCN(Cc2cccc3c2OCCN3)C1
InChIInChI=1S/C16H24N2O2/c1-19-12-13-4-3-8-18(10-13)11-14-5-2-6-15-16(14)20-9-7-17-15/h2,5-6,13,17H,3-4,7-12H2,1H3
InChIKeyGIZREPFWEXZOSS-UHFFFAOYSA-N
XLogP2.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

methyl 2-amino-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoate
CID 106585977
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 83220695
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
CID 99935685
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
5-bromo-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 106586019
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 106587385) is 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is COCC1CCCN(Cc2cccc3c2OCCN3)C1.
What is the InChIKey of 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GIZREPFWEXZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-12-13-4-3-8-18(10-13)11-14-5-2-6-15-16(14)20-9-7-17-15/h2,5-6,13,17H,3-4,7-12H2,1H3.
What are the key properties of 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 276.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 106587385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).