N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 55049436

IUPACN-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17(7-8-18)11(19)2-1-10-3-5-16-6-4-10/h10,16,18H,1-9H2
InChIKeyORMGBDGDIWPPTA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds6

About N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55049436) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55049436
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17(7-8-18)11(19)2-1-10-3-5-16-6-4-10/h10,16,18H,1-9H2
InChIKeyORMGBDGDIWPPTA-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 126787139
2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
CID 67645338
4,4-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932133
4,4-difluoro-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 81932209
2-(2-fluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 89973003
N,N-bis(2-hydroxyethyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 117683486
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 146329737
N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 163783100
2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 166764713
2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide
CID 175397048

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 55049436) is N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCC1CCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ORMGBDGDIWPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-17(7-8-18)11(19)2-1-10-3-5-16-6-4-10/h10,16,18H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55049436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).