4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol

C9H14F3NO — CID 90447583

IUPAC4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h13-14H,1-6H2
InChIKeyYERXYIXJIPQOIB-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.61
Rot. Bonds2

About 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol

4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol (PubChem CID 90447583) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
PubChem CID90447583
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h13-14H,1-6H2
InChIKeyYERXYIXJIPQOIB-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The IUPAC name of 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol (CID 90447583) is 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol is C=C(CC1(O)CCNCC1)C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The InChIKey is YERXYIXJIPQOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h13-14H,1-6H2.
What are the key properties of 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol has a molecular weight of 209.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 90447583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).