N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide

C11H20F2N2O2 — CID 106176984

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O2/c1-10(2)4-3-5-14-8(10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyVRIOXCPTQFRIEL-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.51
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 106176984) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide
PubChem CID106176984
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O2/c1-10(2)4-3-5-14-8(10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyVRIOXCPTQFRIEL-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67812892
(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 170128718
1-[3-(3-Hydroxypropylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 84001289
N-cyclobutyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 102862809
N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 103461941
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104040746
3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105566792
N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567163
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567299
3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567300
3,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567310
3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 105567311

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide (CID 106176984) is N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCNC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is VRIOXCPTQFRIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2)4-3-5-14-8(10)9(17)15-6-11(12,13)7-16/h8,14,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 106176984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).