1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride

C9H16ClF3N2O — CID 119031276

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
SMILESCl.N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14;/h7H,1-6,13H2;1H/t7-;/m1./s1
InChIKeyUAVWCHITCWBYQI-OGFXRTJISA-N
MW260.69 g/mol
LogP1.70
Rot. Bonds2

About 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride

1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride (PubChem CID 119031276) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
PubChem CID119031276
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
SMILESCl.N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14;/h7H,1-6,13H2;1H/t7-;/m1./s1
InChIKeyUAVWCHITCWBYQI-OGFXRTJISA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride (CID 119031276) is 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride is Cl.N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride?
The InChIKey is UAVWCHITCWBYQI-OGFXRTJISA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14;/h7H,1-6,13H2;1H/t7-;/m1./s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride?
1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride is sourced from PubChem (CID 119031276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).