N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

C12H21F3N2O2 — CID 97239661

IUPACN,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16(4-2)11(19)17-7-5-9(6-8-17)10(18)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyJANWRBJGMYCCAK-SNVBAGLBSA-N
MW282.31 g/mol
LogP2.08
Rot. Bonds3

About N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 97239661) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID97239661
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16(4-2)11(19)17-7-5-9(6-8-17)10(18)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyJANWRBJGMYCCAK-SNVBAGLBSA-N
XLogP2.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
CID 54095264
Methyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate
CID 67401996
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 126758447
4-(2,2-Difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
CID 129284418
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (CID 97239661) is N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is JANWRBJGMYCCAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-16(4-2)11(19)17-7-5-9(6-8-17)10(18)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97239661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).