(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine

C14H28N2O2 — CID 29183665

IUPAC(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCN1CC[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-12-8-16(9-13(2)18-12)11-14-4-5-15(10-14)6-7-17-3/h12-14H,4-11H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyJAJCIDJDPMTPMG-HZSPNIEDSA-N
MW256.39 g/mol
LogP1.06
Rot. Bonds5

About (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 29183665) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
PubChem CID29183665
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCOCCN1CC[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-12-8-16(9-13(2)18-12)11-14-4-5-15(10-14)6-7-17-3/h12-14H,4-11H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyJAJCIDJDPMTPMG-HZSPNIEDSA-N
XLogP1.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl methanesulfonate
CID 87320907
(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 99810648
6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526911

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine (CID 29183665) is (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine is COCCN1CC[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1.
What is the InChIKey of (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is JAJCIDJDPMTPMG-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-8-16(9-13(2)18-12)11-14-4-5-15(10-14)6-7-17-3/h12-14H,4-11H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 256.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 29183665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).