3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine

C11H19F2NO — CID 166078022

IUPAC3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
SMILESCOC1CC(N2CCC(C)C(F)(F)C2)C1
InChIInChI=1S/C11H19F2NO/c1-8-3-4-14(7-11(8,12)13)9-5-10(6-9)15-2/h8-10H,3-7H2,1-2H3
InChIKeyUWVRUWRPQLNFIU-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds2

About 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine

3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (PubChem CID 166078022) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
PubChem CID166078022
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
SMILESCOC1CC(N2CCC(C)C(F)(F)C2)C1
InChIInChI=1S/C11H19F2NO/c1-8-3-4-14(7-11(8,12)13)9-5-10(6-9)15-2/h8-10H,3-7H2,1-2H3
InChIKeyUWVRUWRPQLNFIU-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
1-Propan-2-yl-4-(trifluoromethoxy)piperidine
CID 122451382
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
CID 129230048
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418388
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperidine
CID 130418400
1-[1,2,2-Trifluoro-3-(1-fluoropropan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418416
1-[1,1,1,3,3-Pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 130418434
1-[1,1,1,3,3-Pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine
CID 130418435
4-(Difluoromethoxy)-1-propan-2-ylpiperidine
CID 131063524
Ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
CID 144673940

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The IUPAC name of 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (CID 166078022) is 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The canonical SMILES for 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is COC1CC(N2CCC(C)C(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The InChIKey is UWVRUWRPQLNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8-3-4-14(7-11(8,12)13)9-5-10(6-9)15-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is sourced from PubChem (CID 166078022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).