4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine

C18H35N3O — CID 90904195

IUPAC4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine
SMILESCN1CCC(CC(CCN2CCCC2)N2CCOCC2)CC1
InChIInChI=1S/C18H35N3O/c1-19-9-4-17(5-10-19)16-18(21-12-14-22-15-13-21)6-11-20-7-2-3-8-20/h17-18H,2-16H2,1H3
InChIKeyBQULTMYKHNUTGL-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.90
Rot. Bonds6

About 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine

4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine (PubChem CID 90904195) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine
PubChem CID90904195
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine
SMILESCN1CCC(CC(CCN2CCCC2)N2CCOCC2)CC1
InChIInChI=1S/C18H35N3O/c1-19-9-4-17(5-10-19)16-18(21-12-14-22-15-13-21)6-11-20-7-2-3-8-20/h17-18H,2-16H2,1H3
InChIKeyBQULTMYKHNUTGL-UHFFFAOYSA-N
XLogP1.90
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S,3R,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 146435535
4-[[(2S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696902
4-[[(2S,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696958
4-[[(2S,4R)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
CID 169598387
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-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine
CID 95912485
4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 118303182
4-[3-(3-Ethylpiperidin-1-yl)propyl]morpholine
CID 118527356
4-[3-[4-(2-Methylpropyl)piperidin-1-yl]propyl]morpholine
CID 118879977
4-(1,3-Dimethylpiperidin-4-yl)morpholine
CID 119028713
4-[1-(2-Methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 123148292

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine?
The IUPAC name of 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine (CID 90904195) is 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine?
The canonical SMILES for 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine is CN1CCC(CC(CCN2CCCC2)N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine?
The InChIKey is BQULTMYKHNUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-19-9-4-17(5-10-19)16-18(21-12-14-22-15-13-21)6-11-20-7-2-3-8-20/h17-18H,2-16H2,1H3.
What are the key properties of 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine?
4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine has a molecular weight of 309.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylbutan-2-yl]morpholine is sourced from PubChem (CID 90904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).