3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol

C13H25NO2 — CID 103061657

IUPAC3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
SMILESCC1CCC(C)N(CC2COCCC2O)C1
InChIInChI=1S/C13H25NO2/c1-10-3-4-11(2)14(7-10)8-12-9-16-6-5-13(12)15/h10-13,15H,3-9H2,1-2H3
InChIKeyQEAIPYLVDBDTKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds2

About 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol

3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol (PubChem CID 103061657) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
PubChem CID103061657
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
SMILESCC1CCC(C)N(CC2COCCC2O)C1
InChIInChI=1S/C13H25NO2/c1-10-3-4-11(2)14(7-10)8-12-9-16-6-5-13(12)15/h10-13,15H,3-9H2,1-2H3
InChIKeyQEAIPYLVDBDTKU-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
2-[(2,5-dimethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 62610594
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
2-[(3-ethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 55094390
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol (CID 103061657) is 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol is CC1CCC(C)N(CC2COCCC2O)C1.
What is the InChIKey of 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol?
The InChIKey is QEAIPYLVDBDTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-3-4-11(2)14(7-10)8-12-9-16-6-5-13(12)15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol?
3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol has a molecular weight of 227.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).