[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

C11H19F2NO2 — CID 174656231

IUPAC[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(F)F)CC1
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)10(15)16-14-6-4-8(5-7-14)9(12)13/h8-9H,4-7H2,1-3H3
InChIKeyUIRPMOIGPZXHQW-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.47
Rot. Bonds2

About [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174656231) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174656231
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(F)F)CC1
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)10(15)16-14-6-4-8(5-7-14)9(12)13/h8-9H,4-7H2,1-3H3
InChIKeyUIRPMOIGPZXHQW-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 22061292
(1-Propylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468112
(4-Pentylpiperidin-1-yl) 2,2,2-trifluoroacetate;hydrochloride
CID 67295837
(4-Pentylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 67295838
[4-(Difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68758254
[4-(Methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
[4-[(Dimethylamino)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69796799
[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69796850
[4-(Trifluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 85842500
(4-Methyl-1-oxidopiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 87894400
(3-Methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 150779247
[4-(Fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174500439

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174656231) is [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(F)F)CC1.
What is the InChIKey of [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is UIRPMOIGPZXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-11(2,3)10(15)16-14-6-4-8(5-7-14)9(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 235.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174656231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).