2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol

C20H38F3NO — CID 67741096

IUPAC2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol
SMILESCCCCCCCCCCCC1CC(C(C)CO)CCN1C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-12-19-15-18(17(2)16-25)13-14-24(19)20(21,22)23/h17-19,25H,3-16H2,1-2H3
InChIKeyBOGSKRHOWMUNLY-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.14
Rot. Bonds12

About 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol

2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol (PubChem CID 67741096) has the molecular formula C20H38F3NO and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol
PubChem CID67741096
Molecular FormulaC20H38F3NO
Molecular Weight365.52 g/mol
Exact Mass365.29
IUPAC Name2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol
SMILESCCCCCCCCCCCC1CC(C(C)CO)CCN1C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-12-19-15-18(17(2)16-25)13-14-24(19)20(21,22)23/h17-19,25H,3-16H2,1-2H3
InChIKeyBOGSKRHOWMUNLY-UHFFFAOYSA-N
XLogP6.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol (CID 67741096) is 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol is CCCCCCCCCCCC1CC(C(C)CO)CCN1C(F)(F)F.
What is the InChIKey of 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol?
The InChIKey is BOGSKRHOWMUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-12-19-15-18(17(2)16-25)13-14-24(19)20(21,22)23/h17-19,25H,3-16H2,1-2H3.
What are the key properties of 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol?
2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol is sourced from PubChem (CID 67741096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).