1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C8H13F3N2O — CID 95013458

IUPAC1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC[C@H]1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-2-6(4-12)5-13/h6H,1-5,12H2/t6-/m1/s1
InChIKeyLZNMRFVXOINQPU-ZCFIWIBFSA-N
MW210.20 g/mol
LogP0.75
Rot. Bonds1

About 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 95013458) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID95013458
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC[C@H]1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-2-6(4-12)5-13/h6H,1-5,12H2/t6-/m1/s1
InChIKeyLZNMRFVXOINQPU-ZCFIWIBFSA-N
XLogP0.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 95013458) is 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is NC[C@H]1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is LZNMRFVXOINQPU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-3-1-2-6(4-12)5-13/h6H,1-5,12H2/t6-/m1/s1.
What are the key properties of 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 210.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 95013458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).