5-tert-butyl-2-methyl-1-propylpiperidine

C13H27N — CID 167284052

IUPAC5-tert-butyl-2-methyl-1-propylpiperidine
SMILESCCCN1CC(C(C)(C)C)CCC1C
InChIInChI=1S/C13H27N/c1-6-9-14-10-12(13(3,4)5)8-7-11(14)2/h11-12H,6-10H2,1-5H3
InChIKeyFIVNHWWRGHBECA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 5-tert-butyl-2-methyl-1-propylpiperidine

5-tert-butyl-2-methyl-1-propylpiperidine (PubChem CID 167284052) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-propylpiperidine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-propylpiperidine
PubChem CID167284052
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-tert-butyl-2-methyl-1-propylpiperidine
SMILESCCCN1CC(C(C)(C)C)CCC1C
InChIInChI=1S/C13H27N/c1-6-9-14-10-12(13(3,4)5)8-7-11(14)2/h11-12H,6-10H2,1-5H3
InChIKeyFIVNHWWRGHBECA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-propylpiperidine?
The IUPAC name of 5-tert-butyl-2-methyl-1-propylpiperidine (CID 167284052) is 5-tert-butyl-2-methyl-1-propylpiperidine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-propylpiperidine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-propylpiperidine is CCCN1CC(C(C)(C)C)CCC1C.
What is the InChIKey of 5-tert-butyl-2-methyl-1-propylpiperidine?
The InChIKey is FIVNHWWRGHBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-9-14-10-12(13(3,4)5)8-7-11(14)2/h11-12H,6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methyl-1-propylpiperidine?
5-tert-butyl-2-methyl-1-propylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-propylpiperidine is sourced from PubChem (CID 167284052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).