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

C22H43N3O — CID 126486902

IUPAC4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H43N3O/c1-18(2)24-9-6-20(17-24)16-19(3)23-10-7-21(8-11-23)22(4,5)25-12-14-26-15-13-25/h18-21H,6-17H2,1-5H3
InChIKeyXINYMCPHUMLEGN-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.32
Rot. Bonds6

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

4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine (PubChem CID 126486902) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
PubChem CID126486902
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCOCC3)CC2)C1
InChIInChI=1S/C22H43N3O/c1-18(2)24-9-6-20(17-24)16-19(3)23-10-7-21(8-11-23)22(4,5)25-12-14-26-15-13-25/h18-21H,6-17H2,1-5H3
InChIKeyXINYMCPHUMLEGN-UHFFFAOYSA-N
XLogP3.32
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine (CID 126486902) is 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine is CC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCOCC3)CC2)C1.
What is the InChIKey of 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The InChIKey is XINYMCPHUMLEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O/c1-18(2)24-9-6-20(17-24)16-19(3)23-10-7-21(8-11-23)22(4,5)25-12-14-26-15-13-25/h18-21H,6-17H2,1-5H3.
What are the key properties of 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine has a molecular weight of 365.61 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine is sourced from PubChem (CID 126486902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).