(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one

C10H17F3N2O2 — CID 112737765

IUPAC(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-7(14)8(16)15-5-3-9(17,4-6-15)10(11,12)13/h7,17H,2-6,14H2,1H3/t7-/m1/s1
InChIKeyMBOGNVLQTQXVNR-SSDOTTSWSA-N
MW254.25 g/mol
LogP0.64
Rot. Bonds2

About (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one

(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one (PubChem CID 112737765) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
PubChem CID112737765
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-7(14)8(16)15-5-3-9(17,4-6-15)10(11,12)13/h7,17H,2-6,14H2,1H3/t7-/m1/s1
InChIKeyMBOGNVLQTQXVNR-SSDOTTSWSA-N
XLogP0.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 112737767
2-bromo-1-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]butan-1-one
CID 112737673
(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
(2S)-2-chloro-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129497688
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 113341327
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one (CID 112737765) is (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one is CC[C@@H](N)C(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The InChIKey is MBOGNVLQTQXVNR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-7(14)8(16)15-5-3-9(17,4-6-15)10(11,12)13/h7,17H,2-6,14H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 112737765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).