4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine

C11H21F2NO — CID 176834414

IUPAC4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine
SMILESCOC1CNC(C(F)F)CC1C(C)(C)C
InChIInChI=1S/C11H21F2NO/c1-11(2,3)7-5-8(10(12)13)14-6-9(7)15-4/h7-10,14H,5-6H2,1-4H3
InChIKeyKHAKVIWPKJJLQS-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.29
Rot. Bonds2

About 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine

4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine (PubChem CID 176834414) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine.

Molecular Properties

Compound Name4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine
PubChem CID176834414
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine
SMILESCOC1CNC(C(F)F)CC1C(C)(C)C
InChIInChI=1S/C11H21F2NO/c1-11(2,3)7-5-8(10(12)13)14-6-9(7)15-4/h7-10,14H,5-6H2,1-4H3
InChIKeyKHAKVIWPKJJLQS-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine?
The IUPAC name of 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine (CID 176834414) is 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine.
What is the SMILES notation for 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine?
The canonical SMILES for 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine is COC1CNC(C(F)F)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine?
The InChIKey is KHAKVIWPKJJLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-11(2,3)7-5-8(10(12)13)14-6-9(7)15-4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine?
4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(difluoromethyl)-5-methoxypiperidine is sourced from PubChem (CID 176834414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).