1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol

C12H23F3N2O2 — CID 63899270

IUPAC1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCCNCC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2/c1-19-7-4-16-8-10-2-5-17(6-3-10)9-11(18)12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyQKEQEFJRRPFTJY-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.86
Rot. Bonds7

About 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 63899270) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID63899270
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCCNCC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2/c1-19-7-4-16-8-10-2-5-17(6-3-10)9-11(18)12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyQKEQEFJRRPFTJY-UHFFFAOYSA-N
XLogP0.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (CID 63899270) is 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is COCCNCC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is QKEQEFJRRPFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-19-7-4-16-8-10-2-5-17(6-3-10)9-11(18)12(13,14)15/h10-11,16,18H,2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63899270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).