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

C13H25NO3 — CID 64581388

IUPAC[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
SMILESCOCC1CCN(CC2(CO)CCOCC2)C1
InChIInChI=1S/C13H25NO3/c1-16-9-12-2-5-14(8-12)10-13(11-15)3-6-17-7-4-13/h12,15H,2-11H2,1H3
InChIKeyFLBZKNZGUJVDHH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.74
Rot. Bonds5

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

[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol (PubChem CID 64581388) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
PubChem CID64581388
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
SMILESCOCC1CCN(CC2(CO)CCOCC2)C1
InChIInChI=1S/C13H25NO3/c1-16-9-12-2-5-14(8-12)10-13(11-15)3-6-17-7-4-13/h12,15H,2-11H2,1H3
InChIKeyFLBZKNZGUJVDHH-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
CID 63971822
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
CID 106588972
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 55067295
[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol (CID 64581388) is [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol is COCC1CCN(CC2(CO)CCOCC2)C1.
What is the InChIKey of [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol?
The InChIKey is FLBZKNZGUJVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-9-12-2-5-14(8-12)10-13(11-15)3-6-17-7-4-13/h12,15H,2-11H2,1H3.
What are the key properties of [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol?
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 64581388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).