1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C21H24F3N3O — CID 155233947

IUPAC1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNCc1ccccc1NC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)17-7-5-15(6-8-17)13-20(28)27-11-9-18(10-12-27)26-19-4-2-1-3-16(19)14-25/h1-8,18,26H,9-14,25H2
InChIKeyKBONBDSPHVSNIL-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.81
Rot. Bonds5

About 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 155233947) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID155233947
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNCc1ccccc1NC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)17-7-5-15(6-8-17)13-20(28)27-11-9-18(10-12-27)26-19-4-2-1-3-16(19)14-25/h1-8,18,26H,9-14,25H2
InChIKeyKBONBDSPHVSNIL-UHFFFAOYSA-N
XLogP3.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[1-[2-[4-(trifluoromethyl)phenyl]ethanethioyl]piperidin-4-yl]amino]phenyl]carbamate
CID 155248589
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 155248415
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
2-[2-[[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]amino]phenyl]acetamide
CID 175872549
1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidin-2-one
CID 155234103
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 155233947) is 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is NCc1ccccc1NC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KBONBDSPHVSNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c22-21(23,24)17-7-5-15(6-8-17)13-20(28)27-11-9-18(10-12-27)26-19-4-2-1-3-16(19)14-25/h1-8,18,26H,9-14,25H2.
What are the key properties of 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 391.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 155233947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).