1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C12H21F3N2O — CID 83992469

IUPAC1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H21F3N2O/c1-8(18)9-4-10(16-7-12(13,14)15)6-17(5-9)11-2-3-11/h8-11,16,18H,2-7H2,1H3
InChIKeyBCYVQROJFXCGRB-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.37
Rot. Bonds4

About 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992469) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992469
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H21F3N2O/c1-8(18)9-4-10(16-7-12(13,14)15)6-17(5-9)11-2-3-11/h8-11,16,18H,2-7H2,1H3
InChIKeyBCYVQROJFXCGRB-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992469) is 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1.
What is the InChIKey of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is BCYVQROJFXCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(18)9-4-10(16-7-12(13,14)15)6-17(5-9)11-2-3-11/h8-11,16,18H,2-7H2,1H3.
What are the key properties of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 266.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).