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

C13H23F3N2O — CID 83992537

IUPAC1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-9(19)11-4-12(17-8-13(14,15)16)7-18(6-11)5-10-2-3-10/h9-12,17,19H,2-8H2,1H3
InChIKeyDEMBCFRMEFJTSI-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.62
Rot. Bonds5

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

1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992537) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992537
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-9(19)11-4-12(17-8-13(14,15)16)7-18(6-11)5-10-2-3-10/h9-12,17,19H,2-8H2,1H3
InChIKeyDEMBCFRMEFJTSI-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992537) is 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is DEMBCFRMEFJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(19)11-4-12(17-8-13(14,15)16)7-18(6-11)5-10-2-3-10/h9-12,17,19H,2-8H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).