[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol

C13H25NO4 — CID 103539291

IUPAC[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
SMILESCOC1CN(CC2(CO)CCCOC2)CC1OC
InChIInChI=1S/C13H25NO4/c1-16-11-6-14(7-12(11)17-2)8-13(9-15)4-3-5-18-10-13/h11-12,15H,3-10H2,1-2H3
InChIKeyGWLRYCFNODHQOE-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.12
Rot. Bonds5

About [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol

[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol (PubChem CID 103539291) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
PubChem CID103539291
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
SMILESCOC1CN(CC2(CO)CCCOC2)CC1OC
InChIInChI=1S/C13H25NO4/c1-16-11-6-14(7-12(11)17-2)8-13(9-15)4-3-5-18-10-13/h11-12,15H,3-10H2,1-2H3
InChIKeyGWLRYCFNODHQOE-UHFFFAOYSA-N
XLogP0.12
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761
[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol
CID 114279551
ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
CID 176926700
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol (CID 103539291) is [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol is COC1CN(CC2(CO)CCCOC2)CC1OC.
What is the InChIKey of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol?
The InChIKey is GWLRYCFNODHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-16-11-6-14(7-12(11)17-2)8-13(9-15)4-3-5-18-10-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol?
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 103539291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).