4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine

C26H59N3O — CID 161063005

IUPAC4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine
SMILESC1CCNC1.C1COCCN1.CC(C)C.CC(C)C.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C4H9NO.C4H9N.2C4H10/c1-10(2,3)9-5-7-11(4)8-6-9;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-4(2)3/h9H,5-8H2,1-4H3;5H,1-4H2;5H,1-4H2;2*4H,1-3H3
InChIKeyUDQIWBVZCGDUTC-UHFFFAOYSA-N
MW429.78 g/mol
LogP5.67
Rot. Bonds

About 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine

4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine (PubChem CID 161063005) has the molecular formula C26H59N3O and a molecular weight of 429.78 g/mol. Its IUPAC name is 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine
PubChem CID161063005
Molecular FormulaC26H59N3O
Molecular Weight429.78 g/mol
Exact Mass429.47
IUPAC Name4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine
SMILESC1CCNC1.C1COCCN1.CC(C)C.CC(C)C.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C4H9NO.C4H9N.2C4H10/c1-10(2,3)9-5-7-11(4)8-6-9;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-4(2)3/h9H,5-8H2,1-4H3;5H,1-4H2;5H,1-4H2;2*4H,1-3H3
InChIKeyUDQIWBVZCGDUTC-UHFFFAOYSA-N
XLogP5.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine?
The IUPAC name of 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine (CID 161063005) is 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine.
What is the SMILES notation for 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine?
The canonical SMILES for 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine is C1CCNC1.C1COCCN1.CC(C)C.CC(C)C.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine?
The InChIKey is UDQIWBVZCGDUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C4H9NO.C4H9N.2C4H10/c1-10(2,3)9-5-7-11(4)8-6-9;1-3-6-4-2-5-1;1-2-4-5-3-1;2*1-4(2)3/h9H,5-8H2,1-4H3;5H,1-4H2;5H,1-4H2;2*4H,1-3H3.
What are the key properties of 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine?
4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine has a molecular weight of 429.78 g/mol, XLogP of 5.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylpiperidine;bis(2-methylpropane);morpholine;pyrrolidine is sourced from PubChem (CID 161063005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).