1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one

C12H21F3N2O2 — CID 83992320

IUPAC1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-11(19)17-5-9(8(2)18)4-10(6-17)16-7-12(13,14)15/h8-10,16,18H,3-7H2,1-2H3
InChIKeyXQMRUYCGNBDTDB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one

1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one (PubChem CID 83992320) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
PubChem CID83992320
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-11(19)17-5-9(8(2)18)4-10(6-17)16-7-12(13,14)15/h8-10,16,18H,3-7H2,1-2H3
InChIKeyXQMRUYCGNBDTDB-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 138612298
CID 138612298
CID 160203571
CID 160203571
CID 60642496
CID 60642496
CID 79797267
CID 79797267
CID 83992075
CID 83992075
CID 83992076
CID 83992076
CID 83992114
CID 83992114
CID 83992115
CID 83992115
CID 83992143
CID 83992143
CID 83992144
CID 83992144
CID 83992165
CID 83992165
CID 83992166
CID 83992166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one (CID 83992320) is 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is XQMRUYCGNBDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-11(19)17-5-9(8(2)18)4-10(6-17)16-7-12(13,14)15/h8-10,16,18H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).