3-tert-butyl-4-methoxypiperidine

C10H21NO — CID 117236477

IUPAC3-tert-butyl-4-methoxypiperidine
SMILESCOC1CCNCC1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)8-7-11-6-5-9(8)12-4/h8-9,11H,5-7H2,1-4H3
InChIKeyLMPKZAOUTSTFLZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds1

About 3-tert-butyl-4-methoxypiperidine

3-tert-butyl-4-methoxypiperidine (PubChem CID 117236477) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxypiperidine.

Molecular Properties

Compound Name3-tert-butyl-4-methoxypiperidine
PubChem CID117236477
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-tert-butyl-4-methoxypiperidine
SMILESCOC1CCNCC1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)8-7-11-6-5-9(8)12-4/h8-9,11H,5-7H2,1-4H3
InChIKeyLMPKZAOUTSTFLZ-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxypiperidine?
The IUPAC name of 3-tert-butyl-4-methoxypiperidine (CID 117236477) is 3-tert-butyl-4-methoxypiperidine.
What is the SMILES notation for 3-tert-butyl-4-methoxypiperidine?
The canonical SMILES for 3-tert-butyl-4-methoxypiperidine is COC1CCNCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methoxypiperidine?
The InChIKey is LMPKZAOUTSTFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)8-7-11-6-5-9(8)12-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-4-methoxypiperidine?
3-tert-butyl-4-methoxypiperidine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxypiperidine is sourced from PubChem (CID 117236477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).