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

C15H19F3N2O — CID 81312460

IUPAC2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNCc1ccccc1CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-7-20(8-6-13)14(21)9-11-3-1-2-4-12(11)10-19/h1-4,13H,5-10,19H2
InChIKeyBTIPAKSTQFUUNE-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.49
Rot. Bonds3

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

2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 81312460) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID81312460
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNCc1ccccc1CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-7-20(8-6-13)14(21)9-11-3-1-2-4-12(11)10-19/h1-4,13H,5-10,19H2
InChIKeyBTIPAKSTQFUUNE-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 81322086
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
2-[2-(aminomethyl)phenyl]-1-thiomorpholin-4-ylethanone
CID 81318157
2-[2-(aminomethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81318146
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 172648365
2-[2-(aminomethyl)phenyl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 81322397
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155233947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 81312460) is 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is NCc1ccccc1CC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is BTIPAKSTQFUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)13-5-7-20(8-6-13)14(21)9-11-3-1-2-4-12(11)10-19/h1-4,13H,5-10,19H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 300.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 81312460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).