4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol

C10H20N2O3 — CID 103533926

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCOC1CN(C2CNCC2O)CC1OC
InChIInChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3
InChIKeyIUCSMYMSBJHDCS-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.34
Rot. Bonds3

About 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol

4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol (PubChem CID 103533926) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
PubChem CID103533926
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCOC1CN(C2CNCC2O)CC1OC
InChIInChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3
InChIKeyIUCSMYMSBJHDCS-UHFFFAOYSA-N
XLogP-1.34
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405
(3S,4R)-4-methoxypyrrolidin-3-ol
CID 59034600
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
6-methoxyazepane-3,4,5-triol
CID 18417377
4-(3,4-dimethoxypyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 103536907
4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine
CID 103534210
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
4-[4-(dimethylamino)piperidin-1-yl]pyrrolidin-3-ol
CID 63702628
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
CID 130905202

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol (CID 103533926) is 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol is COC1CN(C2CNCC2O)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The InChIKey is IUCSMYMSBJHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol has a molecular weight of 216.28 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).