2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

C12H18N2O2 — CID 82377301

IUPAC2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESc1cc2c(o1)NCC(CN1CCCCC1)O2
InChIInChI=1S/C12H18N2O2/c1-2-5-14(6-3-1)9-10-8-13-12-11(16-10)4-7-15-12/h4,7,10,13H,1-3,5-6,8-9H2
InChIKeyJACVBUCVLGAFLW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (PubChem CID 82377301) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
PubChem CID82377301
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESc1cc2c(o1)NCC(CN1CCCCC1)O2
InChIInChI=1S/C12H18N2O2/c1-2-5-14(6-3-1)9-10-8-13-12-11(16-10)4-7-15-12/h4,7,10,13H,1-3,5-6,8-9H2
InChIKeyJACVBUCVLGAFLW-UHFFFAOYSA-N
XLogP1.94
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (CID 82377301) is 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is c1cc2c(o1)NCC(CN1CCCCC1)O2.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The InChIKey is JACVBUCVLGAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-5-14(6-3-1)9-10-8-13-12-11(16-10)4-7-15-12/h4,7,10,13H,1-3,5-6,8-9H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine has a molecular weight of 222.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is sourced from PubChem (CID 82377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).