1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride

C8H14ClF3N2O — CID 54595642

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13;/h6H,1-5,12H2;1H
InChIKeyZZJVWSBGVQNDAK-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.17
Rot. Bonds1

About 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride

1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride (PubChem CID 54595642) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
PubChem CID54595642
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13;/h6H,1-5,12H2;1H
InChIKeyZZJVWSBGVQNDAK-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

2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513702
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
1-(4-ethynylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 126598063
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806615
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride (CID 54595642) is 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride is Cl.NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride?
The InChIKey is ZZJVWSBGVQNDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13;/h6H,1-5,12H2;1H.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride?
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;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 1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride is sourced from PubChem (CID 54595642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).