3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol

C12H23NO3 — CID 103061639

IUPAC3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCOCC1CCN(CC2COCCC2O)C1
InChIInChI=1S/C12H23NO3/c1-15-8-10-2-4-13(6-10)7-11-9-16-5-3-12(11)14/h10-12,14H,2-9H2,1H3
InChIKeyDVAZYENIYNJBFR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.35
Rot. Bonds4

About 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol

3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol (PubChem CID 103061639) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
PubChem CID103061639
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCOCC1CCN(CC2COCCC2O)C1
InChIInChI=1S/C12H23NO3/c1-15-8-10-2-4-13(6-10)7-11-9-16-5-3-12(11)14/h10-12,14H,2-9H2,1H3
InChIKeyDVAZYENIYNJBFR-UHFFFAOYSA-N
XLogP0.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 64582386
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
CID 66245194
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol (CID 103061639) is 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol is COCC1CCN(CC2COCCC2O)C1.
What is the InChIKey of 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The InChIKey is DVAZYENIYNJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-8-10-2-4-13(6-10)7-11-9-16-5-3-12(11)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol?
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol has a molecular weight of 229.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 103061639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).