3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine

C14H29NO — CID 103174961

IUPAC3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine
SMILESCCC1NC(C)CCC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-12-13(8-7-11(2)15-12)16-10-9-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyDWEZIRKQWZAQFY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds4

About 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine

3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine (PubChem CID 103174961) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine
PubChem CID103174961
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine
SMILESCCC1NC(C)CCC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-12-13(8-7-11(2)15-12)16-10-9-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyDWEZIRKQWZAQFY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine (CID 103174961) is 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine is CCC1NC(C)CCC1OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine?
The InChIKey is DWEZIRKQWZAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-12-13(8-7-11(2)15-12)16-10-9-14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine?
3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-2-ethyl-6-methylpiperidine is sourced from PubChem (CID 103174961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).