2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride

C7H12ClF3N2O — CID 21487875

IUPAC2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyDZZPLJJYVMWODK-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.84
Rot. Bonds1

About 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride

2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 21487875) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID21487875
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC Name2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyDZZPLJJYVMWODK-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride (CID 21487875) is 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is DZZPLJJYVMWODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;/h5,11H,1-4H2,(H,12,13);1H.
What are the key properties of 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride?
2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 21487875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).