4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine

C15H18ClF2NO — CID 11573024

IUPAC4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C15H18ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h2-5,11,15H,1,6-10H2
InChIKeySIRXYYORWFYBQU-UHFFFAOYSA-N
MW301.76 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine

4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine (PubChem CID 11573024) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine
PubChem CID11573024
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C15H18ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h2-5,11,15H,1,6-10H2
InChIKeySIRXYYORWFYBQU-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
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-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine?
The IUPAC name of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine (CID 11573024) is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine?
The canonical SMILES for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine is C=CCN1CCC(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine?
The InChIKey is SIRXYYORWFYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h2-5,11,15H,1,6-10H2.
What are the key properties of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine?
4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine has a molecular weight of 301.76 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-prop-2-enylpiperidine is sourced from PubChem (CID 11573024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).