1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol

C10H16F3NO — CID 146582433

IUPAC1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
SMILESCN1CCC(O)(/C=C/CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-7-5-9(15,6-8-14)3-2-4-10(11,12)13/h2-3,15H,4-8H2,1H3/b3-2+
InChIKeyOXZFBZQGUAQDLZ-NSCUHMNNSA-N
MW223.24 g/mol
LogP1.95
Rot. Bonds2

About 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol

1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol (PubChem CID 146582433) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
PubChem CID146582433
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
SMILESCN1CCC(O)(/C=C/CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-7-5-9(15,6-8-14)3-2-4-10(11,12)13/h2-3,15H,4-8H2,1H3/b3-2+
InChIKeyOXZFBZQGUAQDLZ-NSCUHMNNSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol (CID 146582433) is 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol is CN1CCC(O)(/C=C/CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
The InChIKey is OXZFBZQGUAQDLZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14-7-5-9(15,6-8-14)3-2-4-10(11,12)13/h2-3,15H,4-8H2,1H3/b3-2+.
What are the key properties of 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol?
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol has a molecular weight of 223.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol is sourced from PubChem (CID 146582433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).