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

C12H23F3N2O2 — CID 63900071

IUPAC1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCCNCC1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-19-7-5-16-8-10-4-2-3-6-17(10)9-11(18)12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyKXXFAYWTIVQMHN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.00
Rot. Bonds7

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

1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 63900071) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID63900071
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCCNCC1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-19-7-5-16-8-10-4-2-3-6-17(10)9-11(18)12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyKXXFAYWTIVQMHN-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (CID 63900071) is 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is COCCNCC1CCCCN1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is KXXFAYWTIVQMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-19-7-5-16-8-10-4-2-3-6-17(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-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.00, 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-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63900071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).