(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one

C10H17F3N2O2 — CID 178126862

IUPAC(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H](OC(F)(F)F)CCN1C(=O)[C@@H](C)N
InChIInChI=1S/C10H17F3N2O2/c1-6-5-8(17-10(11,12)13)3-4-15(6)9(16)7(2)14/h6-8H,3-5,14H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyYDLNJLXAAUQMGS-BWZBUEFSSA-N
MW254.25 g/mol
LogP1.25
Rot. Bonds2

About (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one (PubChem CID 178126862) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
PubChem CID178126862
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H](OC(F)(F)F)CCN1C(=O)[C@@H](C)N
InChIInChI=1S/C10H17F3N2O2/c1-6-5-8(17-10(11,12)13)3-4-15(6)9(16)7(2)14/h6-8H,3-5,14H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyYDLNJLXAAUQMGS-BWZBUEFSSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
tert-butyl N-[(2R)-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127817
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130743724
2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 135283990
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one (CID 178126862) is (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one is C[C@@H]1C[C@H](OC(F)(F)F)CCN1C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is YDLNJLXAAUQMGS-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6-5-8(17-10(11,12)13)3-4-15(6)9(16)7(2)14/h6-8H,3-5,14H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 178126862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).