4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C25H53N3O — CID 157268585

IUPAC4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAYGUBOWUINNWME-UHFFFAOYSA-N
MW411.72 g/mol
LogP5.27
Rot. Bonds

About 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 157268585) has the molecular formula C25H53N3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID157268585
Molecular FormulaC25H53N3O
Molecular Weight411.72 g/mol
Exact Mass411.42
IUPAC Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAYGUBOWUINNWME-UHFFFAOYSA-N
XLogP5.27
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-1-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
CID 3048563
1-Methyl-1-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
CID 3048565
4-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)morpholine
CID 57911329
4-(1-Tert-butyl-piperidin-4-yl)-morpholine
CID 59737219
1-[(2R,5S)-4-(1-tert-butylpiperidin-4-yl)-5-methylmorpholin-2-yl]-N,N-dimethylmethanamine
CID 70931693
4-Pentylmorpholine;1-pentylpiperidine
CID 91303573
(3S)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531580
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531607
1-Butyl-1-[2-[2-(1-butylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
CID 118941095
4-[2-[1-[1-(1-Propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 126486902
4-[2-(1-Tert-butylpiperidin-4-yl)oxypropan-2-yl]morpholine
CID 126547302
4-[1-(1-Tert-butylpiperidin-4-yl)oxy-2-methylpropan-2-yl]morpholine
CID 126547622

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 157268585) is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is AYGUBOWUINNWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 411.72 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 157268585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).