2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

C8H14ClF3N2O — CID 119280540

IUPAC2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)6-1-3-13(4-2-6)7(14)5-12;/h6H,1-5,12H2;1H
InChIKeyKRYBMSAIMWUZMZ-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.17
Rot. Bonds1

About 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119280540) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119280540
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)6-1-3-13(4-2-6)7(14)5-12;/h6H,1-5,12H2;1H
InChIKeyKRYBMSAIMWUZMZ-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031440
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
1-(2-aminoacetyl)piperidine-4-carbonyl chloride
CID 130772227
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
2,2-dimethyl-1-[4-(trifluoromethyl)azepan-1-yl]propan-1-one
CID 126750313
3-amino-1-(4-tert-butylazepan-1-yl)propan-1-one;hydrochloride
CID 119326035
2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 67480079

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (CID 119280540) is 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is KRYBMSAIMWUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)6-1-3-13(4-2-6)7(14)5-12;/h6H,1-5,12H2;1H.
What are the key properties of 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).