1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine

C24H47N3O — CID 170117888

IUPAC1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine
SMILESCC(C)C1CCOCC1CC(C)N1CCCCC1CC(C)N1CCN(C)CC1
InChIInChI=1S/C24H47N3O/c1-19(2)24-9-15-28-18-22(24)16-21(4)27-10-7-6-8-23(27)17-20(3)26-13-11-25(5)12-14-26/h19-24H,6-18H2,1-5H3
InChIKeyFJAOSBNAWQRAGJ-UHFFFAOYSA-N
MW393.66 g/mol
LogP3.95
Rot. Bonds7

About 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine

1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine (PubChem CID 170117888) has the molecular formula C24H47N3O and a molecular weight of 393.66 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine
PubChem CID170117888
Molecular FormulaC24H47N3O
Molecular Weight393.66 g/mol
Exact Mass393.37
IUPAC Name1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine
SMILESCC(C)C1CCOCC1CC(C)N1CCCCC1CC(C)N1CCN(C)CC1
InChIInChI=1S/C24H47N3O/c1-19(2)24-9-15-28-18-22(24)16-21(4)27-10-7-6-8-23(27)17-20(3)26-13-11-25(5)12-14-26/h19-24H,6-18H2,1-5H3
InChIKeyFJAOSBNAWQRAGJ-UHFFFAOYSA-N
XLogP3.95
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine (CID 170117888) is 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine is CC(C)C1CCOCC1CC(C)N1CCCCC1CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine?
The InChIKey is FJAOSBNAWQRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O/c1-19(2)24-9-15-28-18-22(24)16-21(4)27-10-7-6-8-23(27)17-20(3)26-13-11-25(5)12-14-26/h19-24H,6-18H2,1-5H3.
What are the key properties of 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine?
1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine has a molecular weight of 393.66 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-[1-(4-propan-2-yloxan-3-yl)propan-2-yl]piperidin-2-yl]propan-2-yl]piperazine is sourced from PubChem (CID 170117888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).