1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone

C11H19F3N2O — CID 63821595

IUPAC1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-3-15(4-2)9-5-7-16(8-6-9)10(17)11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyAAHMRVQZGUFBBN-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.88
Rot. Bonds3

About 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 63821595) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID63821595
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-3-15(4-2)9-5-7-16(8-6-9)10(17)11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyAAHMRVQZGUFBBN-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 63821595) is 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone is CCN(CC)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is AAHMRVQZGUFBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-15(4-2)9-5-7-16(8-6-9)10(17)11(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 252.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 63821595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).