4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine

C21H41N3O — CID 155260302

IUPAC4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(C(C)N3CCOCC3)CC2)C1
InChIInChI=1S/C21H41N3O/c1-17(2)23-9-8-20(16-23)21(4,5)24-10-6-19(7-11-24)18(3)22-12-14-25-15-13-22/h17-20H,6-16H2,1-5H3
InChIKeyXZKUOQVGVBXSKL-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.93
Rot. Bonds5

About 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine (PubChem CID 155260302) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine
PubChem CID155260302
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC Name4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(C(C)N3CCOCC3)CC2)C1
InChIInChI=1S/C21H41N3O/c1-17(2)23-9-8-20(16-23)21(4,5)24-10-6-19(7-11-24)18(3)22-12-14-25-15-13-22/h17-20H,6-16H2,1-5H3
InChIKeyXZKUOQVGVBXSKL-UHFFFAOYSA-N
XLogP2.93
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine with MolForge

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Related Compounds

2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167285951
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
(6R)-6-cyclopropyl-4-propan-2-yl-1,4-oxazepane
CID 176594342
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 156551467
4-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]morpholine
CID 146947898
3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
CID 146388853
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
CID 161137938
2-[2-(4-cyclopropylpiperidin-1-yl)propan-2-yl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 131989875
5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
CID 114115320

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine (CID 155260302) is 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine is CC(C)N1CCC(C(C)(C)N2CCC(C(C)N3CCOCC3)CC2)C1.
What is the InChIKey of 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is XZKUOQVGVBXSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O/c1-17(2)23-9-8-20(16-23)21(4,5)24-10-6-19(7-11-24)18(3)22-12-14-25-15-13-22/h17-20H,6-16H2,1-5H3.
What are the key properties of 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 351.58 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 155260302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).