[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone

C13H13Cl2F3N2O — CID 129353604

IUPAC[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESN[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H13Cl2F3N2O/c14-9-3-1-7(5-10(9)15)12(21)20-6-8(19)2-4-11(20)13(16,17)18/h1,3,5,8,11H,2,4,6,19H2/t8-,11-/m1/s1
InChIKeyCIJHEDUTUBTUJY-LDYMZIIASA-N
MW341.16 g/mol
LogP3.49
Rot. Bonds1

About [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone

[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 129353604) has the molecular formula C13H13Cl2F3N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID129353604
Molecular FormulaC13H13Cl2F3N2O
Molecular Weight341.16 g/mol
Exact Mass340.04
IUPAC Name[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESN[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H13Cl2F3N2O/c14-9-3-1-7(5-10(9)15)12(21)20-6-8(19)2-4-11(20)13(16,17)18/h1,3,5,8,11H,2,4,6,19H2/t8-,11-/m1/s1
InChIKeyCIJHEDUTUBTUJY-LDYMZIIASA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 129359380
[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 129353663
[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 129353807
[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 129353805
[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
CID 154759205
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 171678646
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
N-[(3R,6R)-1-(3-cyano-4-fluorobenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345616
(3,4-dichlorophenyl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122162113
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone (CID 129353604) is [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone is N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is CIJHEDUTUBTUJY-LDYMZIIASA-N. The full InChI is InChI=1S/C13H13Cl2F3N2O/c14-9-3-1-7(5-10(9)15)12(21)20-6-8(19)2-4-11(20)13(16,17)18/h1,3,5,8,11H,2,4,6,19H2/t8-,11-/m1/s1.
What are the key properties of [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 341.16 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 129353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).