2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine

C11H22N2O3 — CID 103533931

IUPAC2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
SMILESCOC1CN(CC2CNCCO2)CC1OC
InChIInChI=1S/C11H22N2O3/c1-14-10-7-13(8-11(10)15-2)6-9-5-12-3-4-16-9/h9-12H,3-8H2,1-2H3
InChIKeySPAKQRCYPIESCC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.68
Rot. Bonds4

About 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine

2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine (PubChem CID 103533931) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
PubChem CID103533931
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
SMILESCOC1CN(CC2CNCCO2)CC1OC
InChIInChI=1S/C11H22N2O3/c1-14-10-7-13(8-11(10)15-2)6-9-5-12-3-4-16-9/h9-12H,3-8H2,1-2H3
InChIKeySPAKQRCYPIESCC-UHFFFAOYSA-N
XLogP-0.68
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
2-[(3-tert-butylazetidin-1-yl)methyl]morpholine
CID 115324324
3-(morpholin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394047
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
N,N,4-trimethyl-1-(morpholin-2-ylmethyl)pyrrolidin-3-amine
CID 81465369
(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506
2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 53407663
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
CID 63621251
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine?
The IUPAC name of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine (CID 103533931) is 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine is COC1CN(CC2CNCCO2)CC1OC.
What is the InChIKey of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine?
The InChIKey is SPAKQRCYPIESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-14-10-7-13(8-11(10)15-2)6-9-5-12-3-4-16-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine?
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine has a molecular weight of 230.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine is sourced from PubChem (CID 103533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).