1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 22061286

IUPAC1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC1(O)CCN(C2CNC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(12)2-4-11(5-3-9)8-6-10-7-8;3-2(4,5)1(6)7/h8,10,12H,2-7H2,1H3;(H,6,7)
InChIKeyXYBQRZFARODSMU-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.44
Rot. Bonds1

About 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid

1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 22061286) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID22061286
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC1(O)CCN(C2CNC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(12)2-4-11(5-3-9)8-6-10-7-8;3-2(4,5)1(6)7/h8,10,12H,2-7H2,1H3;(H,6,7)
InChIKeyXYBQRZFARODSMU-UHFFFAOYSA-N
XLogP0.44
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid (CID 22061286) is 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid is CC1(O)CCN(C2CNC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is XYBQRZFARODSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-9(12)2-4-11(5-3-9)8-6-10-7-8;3-2(4,5)1(6)7/h8,10,12H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22061286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).