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

C12H22F3NO2 — CID 90103484

IUPAC1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol
SMILESCOCCCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-18-7-3-5-10-4-2-6-16(8-10)9-11(17)12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyPIJMXSSHEMMSTR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds6

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

1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol (PubChem CID 90103484) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol
PubChem CID90103484
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol
SMILESCOCCCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-18-7-3-5-10-4-2-6-16(8-10)9-11(17)12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyPIJMXSSHEMMSTR-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol (CID 90103484) is 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol is COCCCC1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol?
The InChIKey is PIJMXSSHEMMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-18-7-3-5-10-4-2-6-16(8-10)9-11(17)12(13,14)15/h10-11,17H,2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(3-methoxypropyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 90103484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).