1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane

C26H59N3S — CID 157482499

IUPAC1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
SMILESC.C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CCC
InChIInChI=1S/C9H19N.C8H17NS.C5H11N.C3H8.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-2-4-6-5-3-1;1-3-2;/h4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H2;3H2,1-2H3;1H4
InChIKeyBWHYGUHLNGQJFM-UHFFFAOYSA-N
MW445.85 g/mol
LogP6.92
Rot. Bonds

About 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane

1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane (PubChem CID 157482499) has the molecular formula C26H59N3S and a molecular weight of 445.85 g/mol. Its IUPAC name is 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane.

Molecular Properties

Compound Name1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
PubChem CID157482499
Molecular FormulaC26H59N3S
Molecular Weight445.85 g/mol
Exact Mass445.44
IUPAC Name1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
SMILESC.C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CCC
InChIInChI=1S/C9H19N.C8H17NS.C5H11N.C3H8.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-2-4-6-5-3-1;1-3-2;/h4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H2;3H2,1-2H3;1H4
InChIKeyBWHYGUHLNGQJFM-UHFFFAOYSA-N
XLogP6.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.85
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
CID 159843744
azetidine;1-tert-butylpyrrolidine;2-methylpropane
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1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butylpiperazine;ethane;methane
CID 161367706
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
piperidine;thiomorpholine
CID 144791977
ethane;propane;pyrrolidine
CID 91102166
2,2-dimethylpropane;piperidine
CID 158818588

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane?
The IUPAC name of 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane (CID 157482499) is 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane.
What is the SMILES notation for 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane?
The canonical SMILES for 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane is C.C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CCC.
What is the InChIKey of 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane?
The InChIKey is BWHYGUHLNGQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17NS.C5H11N.C3H8.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-2-4-6-5-3-1;1-3-2;/h4-8H2,1-3H3;4-7H2,1-3H3;6H,1-5H2;3H2,1-2H3;1H4.
What are the key properties of 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane?
1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane has a molecular weight of 445.85 g/mol, XLogP of 6.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane is sourced from PubChem (CID 157482499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).