4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine

C13H25F2NO — CID 134274375

IUPAC4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine
SMILESCCC(C)(C)CCN1CCC(OC(F)F)CC1
InChIInChI=1S/C13H25F2NO/c1-4-13(2,3)7-10-16-8-5-11(6-9-16)17-12(14)15/h11-12H,4-10H2,1-3H3
InChIKeyWMRNIWBHBODSMU-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.52
Rot. Bonds6

About 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine

4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine (PubChem CID 134274375) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine
PubChem CID134274375
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine
SMILESCCC(C)(C)CCN1CCC(OC(F)F)CC1
InChIInChI=1S/C13H25F2NO/c1-4-13(2,3)7-10-16-8-5-11(6-9-16)17-12(14)15/h11-12H,4-10H2,1-3H3
InChIKeyWMRNIWBHBODSMU-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 75396291
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-Ethyl-4-(trifluoromethoxy)piperidine
CID 69938774
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
1-(2,2-Difluoroethyl)-4-methoxypiperidine
CID 90227697
4-Methoxy-1-(2,2,2-trifluoroethyl)piperidine
CID 90431854
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine?
The IUPAC name of 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine (CID 134274375) is 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine?
The canonical SMILES for 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine is CCC(C)(C)CCN1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine?
The InChIKey is WMRNIWBHBODSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-13(2,3)7-10-16-8-5-11(6-9-16)17-12(14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine?
4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine has a molecular weight of 249.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-(3,3-dimethylpentyl)piperidine is sourced from PubChem (CID 134274375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).