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

C13H23F3N2O — CID 83992080

IUPAC1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-18-6-9(5-12(19)10-2-3-10)4-11(7-18)17-8-13(14,15)16/h9-12,17,19H,2-8H2,1H3
InChIKeyGCONQPGCEPVIMN-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.62
Rot. Bonds5

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

1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992080) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992080
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-18-6-9(5-12(19)10-2-3-10)4-11(7-18)17-8-13(14,15)16/h9-12,17,19H,2-8H2,1H3
InChIKeyGCONQPGCEPVIMN-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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Related Compounds

(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
CID 163637378
2-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992066
3-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
2-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992105
3-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992112
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992115

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992080) is 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is GCONQPGCEPVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-18-6-9(5-12(19)10-2-3-10)4-11(7-18)17-8-13(14,15)16/h9-12,17,19H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-cyclopropyl-2-[1-methyl-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-cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).