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

C15H27F3N2O — CID 83992147

IUPAC1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-2-5-20-8-11(7-14(21)12-3-4-12)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3
InChIKeyKJJRUQPOXUNUAU-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds7

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

1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992147) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992147
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-2-5-20-8-11(7-14(21)12-3-4-12)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3
InChIKeyKJJRUQPOXUNUAU-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.40
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
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992147) is 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is KJJRUQPOXUNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-5-20-8-11(7-14(21)12-3-4-12)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).