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

C24H47N3O — CID 134600355

IUPAC4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(C(C)(C)N3CCOCC3)CC2C)CC1
InChIInChI=1S/C24H47N3O/c1-19(2)25-11-8-21(9-12-25)24(6,7)27-13-10-22(18-20(27)3)23(4,5)26-14-16-28-17-15-26/h19-22H,8-18H2,1-7H3
InChIKeyBBCOZQIXNBWGNI-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.10
Rot. Bonds5

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

4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine (PubChem CID 134600355) has the molecular formula C24H47N3O and a molecular weight of 393.66 g/mol. Its IUPAC name is 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
PubChem CID134600355
Molecular FormulaC24H47N3O
Molecular Weight393.66 g/mol
Exact Mass393.37
IUPAC Name4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(C(C)(C)N3CCOCC3)CC2C)CC1
InChIInChI=1S/C24H47N3O/c1-19(2)25-11-8-21(9-12-25)24(6,7)27-13-10-22(18-20(27)3)23(4,5)26-14-16-28-17-15-26/h19-22H,8-18H2,1-7H3
InChIKeyBBCOZQIXNBWGNI-UHFFFAOYSA-N
XLogP4.10
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine (CID 134600355) is 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine is CC(C)N1CCC(C(C)(C)N2CCC(C(C)(C)N3CCOCC3)CC2C)CC1.
What is the InChIKey of 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
The InChIKey is BBCOZQIXNBWGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O/c1-19(2)25-11-8-21(9-12-25)24(6,7)27-13-10-22(18-20(27)3)23(4,5)26-14-16-28-17-15-26/h19-22H,8-18H2,1-7H3.
What are the key properties of 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine?
4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine has a molecular weight of 393.66 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine is sourced from PubChem (CID 134600355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).