4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine

C15H27NO3 — CID 131638253

IUPAC4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2(COCC2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-5-15(11-16-6-2-14(15)19-7-1)12-18-10-13-3-8-17-9-4-13/h13-14,16H,1-12H2
InChIKeyROMYBDFXILCMTL-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.59
Rot. Bonds4

About 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine

4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 131638253) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID131638253
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2(COCC2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-5-15(11-16-6-2-14(15)19-7-1)12-18-10-13-3-8-17-9-4-13/h13-14,16H,1-12H2
InChIKeyROMYBDFXILCMTL-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Related Compounds

4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155835166
4a-(prop-2-enoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;hydrochloride
CID 155849853
(4aR,8aS)-6-cyclobutyl-4a-(oxan-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97387478
(4aS,8aS)-4a-(cyclopropylmethoxymethyl)-6-(oxan-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97387462
4a-(cyclopropylmethoxymethyl)-6-(oxan-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131647791
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-cyclopropylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98816458
4a-(ethoxymethyl)-6-(oxan-4-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131657578
6-(2-methoxyethyl)-4a-(oxan-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859448
4a-(cyclobutylmethoxymethyl)-6-methylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131639726
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187
(4aR,8aS)-4a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379764
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379763

Frequently Asked Questions

What is the IUPAC name of 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 131638253) is 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine is C1COC2CCNCC2(COCC2CCOCC2)C1.
What is the InChIKey of 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is ROMYBDFXILCMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-15(11-16-6-2-14(15)19-7-1)12-18-10-13-3-8-17-9-4-13/h13-14,16H,1-12H2.
What are the key properties of 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine?
4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 269.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 131638253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).