[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone

C14H16ClF3N2O — CID 129359380

IUPAC[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O/c1-8-2-3-9(6-11(8)15)13(21)20-7-10(19)4-5-12(20)14(16,17)18/h2-3,6,10,12H,4-5,7,19H2,1H3/t10-,12-/m0/s1
InChIKeyYIMCSZCDHABFCR-JQWIXIFHSA-N
MW320.74 g/mol
LogP3.14
Rot. Bonds1

About [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone

[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone (PubChem CID 129359380) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
PubChem CID129359380
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H16ClF3N2O/c1-8-2-3-9(6-11(8)15)13(21)20-7-10(19)4-5-12(20)14(16,17)18/h2-3,6,10,12H,4-5,7,19H2,1H3/t10-,12-/m0/s1
InChIKeyYIMCSZCDHABFCR-JQWIXIFHSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone (CID 129359380) is [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cc1Cl.
What is the InChIKey of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The InChIKey is YIMCSZCDHABFCR-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-8-2-3-9(6-11(8)15)13(21)20-7-10(19)4-5-12(20)14(16,17)18/h2-3,6,10,12H,4-5,7,19H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone?
[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone has a molecular weight of 320.74 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 129359380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).