1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine

C26H56N4O — CID 157270913

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H17NO/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9/h5-8H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyAYNIRABEKFNWET-UHFFFAOYSA-N
MW440.76 g/mol
LogP4.42
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine (PubChem CID 157270913) has the molecular formula C26H56N4O and a molecular weight of 440.76 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
PubChem CID157270913
Molecular FormulaC26H56N4O
Molecular Weight440.76 g/mol
Exact Mass440.45
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H17NO/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9/h5-8H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyAYNIRABEKFNWET-UHFFFAOYSA-N
XLogP4.42
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 158521892
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
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CID 159248645
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
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CID 160950375
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CID 161180929
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 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine (CID 157270913) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine?
The InChIKey is AYNIRABEKFNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.C8H17NO/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9/h5-8H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine?
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine has a molecular weight of 440.76 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine is sourced from PubChem (CID 157270913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).