4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane

C26H62N4O — CID 158521892

IUPAC4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
SMILESC.C.C.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C)CC1
InChIInChI=1S/C9H19N.C8H17NO.C6H14N2.3CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7-3-5-8(2)6-4-7;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;3*1H4
InChIKeyHMHUPNCKZMHHSJ-UHFFFAOYSA-N
MW446.81 g/mol
LogP5.16
Rot. Bonds

About 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane

4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane (PubChem CID 158521892) has the molecular formula C26H62N4O and a molecular weight of 446.81 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane.

Molecular Properties

Compound Name4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
PubChem CID158521892
Molecular FormulaC26H62N4O
Molecular Weight446.81 g/mol
Exact Mass446.49
IUPAC Name4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
SMILESC.C.C.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C)CC1
InChIInChI=1S/C9H19N.C8H17NO.C6H14N2.3CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7-3-5-8(2)6-4-7;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;3*1H4
InChIKeyHMHUPNCKZMHHSJ-UHFFFAOYSA-N
XLogP5.16
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
CID 167566167
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane?
The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane (CID 158521892) is 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane.
What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane?
The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane is C.C.C.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C)CC1.
What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane?
The InChIKey is HMHUPNCKZMHHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17NO.C6H14N2.3CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7-3-5-8(2)6-4-7;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;3*1H4.
What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane?
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane has a molecular weight of 446.81 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane is sourced from PubChem (CID 158521892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).