4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 110896383

IUPAC4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-7(5-15)2-4-14/h7,15H,1-6H2,(H,13,16)
InChIKeyWQKUFTDQMYFHOJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.96
Rot. Bonds2

About 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 110896383) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID110896383
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-7(5-15)2-4-14/h7,15H,1-6H2,(H,13,16)
InChIKeyWQKUFTDQMYFHOJ-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
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
N,N-diethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75387290
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83266590
4-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 91650238

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 110896383) is 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is WQKUFTDQMYFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-7(5-15)2-4-14/h7,15H,1-6H2,(H,13,16).
What are the key properties of 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110896383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).