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

C15H20ClF2NO — CID 11616454

IUPAC4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C15H20ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h3-5,11,15H,2,6-10H2,1H3
InChIKeyVGXVXVVUUYTSSN-UHFFFAOYSA-N
MW303.78 g/mol
LogP4.53
Rot. Bonds5

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

4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine (PubChem CID 11616454) has the molecular formula C15H20ClF2NO and a molecular weight of 303.78 g/mol. Its IUPAC name is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine
PubChem CID11616454
Molecular FormulaC15H20ClF2NO
Molecular Weight303.78 g/mol
Exact Mass303.12
IUPAC Name4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C15H20ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h3-5,11,15H,2,6-10H2,1H3
InChIKeyVGXVXVVUUYTSSN-UHFFFAOYSA-N
XLogP4.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine?
The IUPAC name of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine (CID 11616454) is 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine.
What is the SMILES notation for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine?
The canonical SMILES for 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine is CCCN1CCC(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine?
The InChIKey is VGXVXVVUUYTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO/c1-2-8-19-9-6-11(7-10-19)12-4-3-5-13(14(12)16)20-15(17)18/h3-5,11,15H,2,6-10H2,1H3.
What are the key properties of 4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine?
4-[2-chloro-3-(difluoromethoxy)phenyl]-1-propylpiperidine has a molecular weight of 303.78 g/mol, XLogP of 4.53, 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-propylpiperidine is sourced from PubChem (CID 11616454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).