1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol

C16H19F3N2O — CID 166265437

IUPAC1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(c2ccc3[nH]ccc3c2)CC1)C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)15(22)10-21-7-4-11(5-8-21)12-1-2-14-13(9-12)3-6-20-14/h1-3,6,9,11,15,20,22H,4-5,7-8,10H2
InChIKeyCJFHCAAPSDTNGO-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.27
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 166265437) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID166265437
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(c2ccc3[nH]ccc3c2)CC1)C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)15(22)10-21-7-4-11(5-8-21)12-1-2-14-13(9-12)3-6-20-14/h1-3,6,9,11,15,20,22H,4-5,7-8,10H2
InChIKeyCJFHCAAPSDTNGO-UHFFFAOYSA-N
XLogP3.27
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)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-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol (CID 166265437) is 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol is OC(CN1CCC(c2ccc3[nH]ccc3c2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is CJFHCAAPSDTNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)15(22)10-21-7-4-11(5-8-21)12-1-2-14-13(9-12)3-6-20-14/h1-3,6,9,11,15,20,22H,4-5,7-8,10H2.
What are the key properties of 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 312.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(1H-indol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 166265437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).