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

C15H27F3N2O — CID 83992572

IUPAC1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CCC2)C1
InChIInChI=1S/C15H27F3N2O/c1-10(12-4-3-5-12)20-7-13(11(2)21)6-14(8-20)19-9-15(16,17)18/h10-14,19,21H,3-9H2,1-2H3
InChIKeyZMFMGZHZXHKGJR-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds5

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

1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992572) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992572
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CCC2)C1
InChIInChI=1S/C15H27F3N2O/c1-10(12-4-3-5-12)20-7-13(11(2)21)6-14(8-20)19-9-15(16,17)18/h10-14,19,21H,3-9H2,1-2H3
InChIKeyZMFMGZHZXHKGJR-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992583
N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
CID 112542898
1-[5-(cyclopropylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]ethanol
CID 83991863
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992572) is 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CCC2)C1.
What is the InChIKey of 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is ZMFMGZHZXHKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-10(12-4-3-5-12)20-7-13(11(2)21)6-14(8-20)19-9-15(16,17)18/h10-14,19,21H,3-9H2,1-2H3.
What are the key properties of 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).