4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine

C16H31N3O — CID 147557892

IUPAC4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine
SMILESCN1CCCC1C1CC(CN2CCOCC2)CCN1C
InChIInChI=1S/C16H31N3O/c1-17-6-3-4-15(17)16-12-14(5-7-18(16)2)13-19-8-10-20-11-9-19/h14-16H,3-13H2,1-2H3
InChIKeyFSAOBVVFBIXSGP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.12
Rot. Bonds3

About 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine

4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine (PubChem CID 147557892) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine
PubChem CID147557892
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine
SMILESCN1CCCC1C1CC(CN2CCOCC2)CCN1C
InChIInChI=1S/C16H31N3O/c1-17-6-3-4-15(17)16-12-14(5-7-18(16)2)13-19-8-10-20-11-9-19/h14-16H,3-13H2,1-2H3
InChIKeyFSAOBVVFBIXSGP-UHFFFAOYSA-N
XLogP1.12
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R,5S)-1-tert-butyl-3-fluoro-5-propan-2-ylpyrrolidin-2-yl]methyl]morpholine
CID 169666884
4-[[(2R,3R,5S)-1-tert-butyl-3-fluoro-5-propan-2-ylpyrrolidin-2-yl]methyl]morpholine
CID 174037758
4-(1,2,2-Triethylpiperidin-3-yl)morpholine
CID 24748230
4-[1-(1-Methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine
CID 90904195
4-(2-Methyl-1-morpholin-4-ylheptan-4-yl)morpholine
CID 91483008
4-[4-(1-Methylpyrrolidin-3-yl)butan-2-yl]morpholine
CID 91559305
4-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3-methylmorpholine
CID 122545631
4-[2-[1-[1-(1-Propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 126486902
4-[4-(1,5-Dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine
CID 126746252
4-[1-(1-Tert-butylpiperidin-3-yl)propan-2-yl]morpholine
CID 129027899
4-[1-(1-Tert-butylpiperidin-3-yl)-2-methylpropan-2-yl]morpholine
CID 129028216
4-[4-(1-Tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine
CID 129035483

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine (CID 147557892) is 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine is CN1CCCC1C1CC(CN2CCOCC2)CCN1C.
What is the InChIKey of 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine?
The InChIKey is FSAOBVVFBIXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-6-3-4-15(17)16-12-14(5-7-18(16)2)13-19-8-10-20-11-9-19/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine?
4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine has a molecular weight of 281.44 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-2-(1-methylpyrrolidin-2-yl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 147557892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).