4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine

C14H28N2O2 — CID 102744375

IUPAC4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCOC1CNC(CN2CC(C)(C)OC(C)(C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)9-16(10-14(3,4)18-13)8-11-6-12(17-5)7-15-11/h11-12,15H,6-10H2,1-5H3
InChIKeyKBNSHDGAQOFXBK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.25
Rot. Bonds3

About 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine

4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 102744375) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
PubChem CID102744375
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCOC1CNC(CN2CC(C)(C)OC(C)(C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)9-16(10-14(3,4)18-13)8-11-6-12(17-5)7-15-11/h11-12,15H,6-10H2,1-5H3
InChIKeyKBNSHDGAQOFXBK-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxypyrrolidin-2-yl)methyl]morpholine
CID 61214671
8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 63161070
2-[(4-methoxypyrrolidin-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560366
1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63008682
2,2,6,6-tetramethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 102819699
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine (CID 102744375) is 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine is COC1CNC(CN2CC(C)(C)OC(C)(C)C2)C1.
What is the InChIKey of 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is KBNSHDGAQOFXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)9-16(10-14(3,4)18-13)8-11-6-12(17-5)7-15-11/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 256.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102744375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).