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

C20H38F3NO — CID 142633110

IUPAC2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol
SMILESCCCCCCCCCCCN1CCC(C(C)CO)CC1C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-13-24-14-12-18(17(2)16-25)15-19(24)20(21,22)23/h17-19,25H,3-16H2,1-2H3
InChIKeyVXXDKVWBUYXMHQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.79
Rot. Bonds12

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

2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol (PubChem CID 142633110) has the molecular formula C20H38F3NO and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol
PubChem CID142633110
Molecular FormulaC20H38F3NO
Molecular Weight365.52 g/mol
Exact Mass365.29
IUPAC Name2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol
SMILESCCCCCCCCCCCN1CCC(C(C)CO)CC1C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-13-24-14-12-18(17(2)16-25)15-19(24)20(21,22)23/h17-19,25H,3-16H2,1-2H3
InChIKeyVXXDKVWBUYXMHQ-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol (CID 142633110) is 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol is CCCCCCCCCCCN1CCC(C(C)CO)CC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol?
The InChIKey is VXXDKVWBUYXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F3NO/c1-3-4-5-6-7-8-9-10-11-13-24-14-12-18(17(2)16-25)15-19(24)20(21,22)23/h17-19,25H,3-16H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol?
2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 5.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1-undecylpiperidin-4-yl]propan-1-ol is sourced from PubChem (CID 142633110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).