1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol

C13H20F3NO — CID 59304265

IUPAC1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C#CCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-11(2,3)5-4-8-17-9-6-12(18,7-10-17)13(14,15)16/h18H,6-10H2,1-3H3
InChIKeyWMPNXOFLIQOFGS-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.43
Rot. Bonds1

About 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol

1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 59304265) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID59304265
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C#CCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-11(2,3)5-4-8-17-9-6-12(18,7-10-17)13(14,15)16/h18H,6-10H2,1-3H3
InChIKeyWMPNXOFLIQOFGS-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol (CID 59304265) is 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol is CC(C)(C)C#CCN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is WMPNXOFLIQOFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-11(2,3)5-4-8-17-9-6-12(18,7-10-17)13(14,15)16/h18H,6-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 263.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 59304265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).