4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine

C21H36N2OS — CID 70405571

IUPAC4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine
SMILESCC(CN1CCCCC1)C(c1ccc(C(C)(C)C)s1)N1CCOCC1
InChIInChI=1S/C21H36N2OS/c1-17(16-22-10-6-5-7-11-22)20(23-12-14-24-15-13-23)18-8-9-19(25-18)21(2,3)4/h8-9,17,20H,5-7,10-16H2,1-4H3
InChIKeyQTEYMXBHJRRDQF-UHFFFAOYSA-N
MW364.60 g/mol
LogP4.54
Rot. Bonds5

About 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine

4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine (PubChem CID 70405571) has the molecular formula C21H36N2OS and a molecular weight of 364.60 g/mol. Its IUPAC name is 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine
PubChem CID70405571
Molecular FormulaC21H36N2OS
Molecular Weight364.60 g/mol
Exact Mass364.25
IUPAC Name4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine
SMILESCC(CN1CCCCC1)C(c1ccc(C(C)(C)C)s1)N1CCOCC1
InChIInChI=1S/C21H36N2OS/c1-17(16-22-10-6-5-7-11-22)20(23-12-14-24-15-13-23)18-8-9-19(25-18)21(2,3)4/h8-9,17,20H,5-7,10-16H2,1-4H3
InChIKeyQTEYMXBHJRRDQF-UHFFFAOYSA-N
XLogP4.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine?
The IUPAC name of 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine (CID 70405571) is 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine.
What is the SMILES notation for 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine?
The canonical SMILES for 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine is CC(CN1CCCCC1)C(c1ccc(C(C)(C)C)s1)N1CCOCC1.
What is the InChIKey of 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine?
The InChIKey is QTEYMXBHJRRDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2OS/c1-17(16-22-10-6-5-7-11-22)20(23-12-14-24-15-13-23)18-8-9-19(25-18)21(2,3)4/h8-9,17,20H,5-7,10-16H2,1-4H3.
What are the key properties of 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine?
4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine has a molecular weight of 364.60 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-tert-butylthiophen-2-yl)-2-methyl-3-piperidin-1-ylpropyl]morpholine is sourced from PubChem (CID 70405571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).