1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone

C11H19F3N2O2 — CID 112737769

IUPAC1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-7-9(17)16-5-3-10(18,4-6-16)11(12,13)14/h8,15,18H,3-7H2,1-2H3
InChIKeyIJESKXRWOHQSCB-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds3

About 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone (PubChem CID 112737769) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone
PubChem CID112737769
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-7-9(17)16-5-3-10(18,4-6-16)11(12,13)14/h8,15,18H,3-7H2,1-2H3
InChIKeyIJESKXRWOHQSCB-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164629587
2,2,2-trifluoro-N-[2-(4-hydroxy-4-piperidinyl)ethyl]acetamide
CID 58693799
(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71236507
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 89762859
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 117749585
2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 135257207
2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 153467731
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751039
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63596236
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63848762
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63853091
2-[4-[1-(propylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63853272

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone (CID 112737769) is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone?
The InChIKey is IJESKXRWOHQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)15-7-9(17)16-5-3-10(18,4-6-16)11(12,13)14/h8,15,18H,3-7H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone?
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone has a molecular weight of 268.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 112737769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).