2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

C12H20ClF3N2O — CID 122157005

IUPAC2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(N1CCCC(C2CCCCN2)C1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)11(18)17-7-3-4-9(8-17)10-5-1-2-6-16-10;/h9-10,16H,1-8H2;1H
InChIKeyBQAHUYYUSOORNU-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.35
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 122157005) has the molecular formula C12H20ClF3N2O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID122157005
Molecular FormulaC12H20ClF3N2O
Molecular Weight300.75 g/mol
Exact Mass300.12
IUPAC Name2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(N1CCCC(C2CCCCN2)C1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)11(18)17-7-3-4-9(8-17)10-5-1-2-6-16-10;/h9-10,16H,1-8H2;1H
InChIKeyBQAHUYYUSOORNU-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (CID 122157005) is 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is Cl.O=C(N1CCCC(C2CCCCN2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is BQAHUYYUSOORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O.ClH/c13-12(14,15)11(18)17-7-3-4-9(8-17)10-5-1-2-6-16-10;/h9-10,16H,1-8H2;1H.
What are the key properties of 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-piperidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 122157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).