4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol

C15H20ClF2NO2 — CID 69463164

IUPAC4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol
SMILESOC1(CCCc2cccc(OC(F)F)c2Cl)CCNCC1
InChIInChI=1S/C15H20ClF2NO2/c16-13-11(3-1-5-12(13)21-14(17)18)4-2-6-15(20)7-9-19-10-8-15/h1,3,5,14,19-20H,2,4,6-10H2
InChIKeyUGIBCFNZPBWMJR-UHFFFAOYSA-N
MW319.78 g/mol
LogP3.38
Rot. Bonds6

About 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol

4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol (PubChem CID 69463164) has the molecular formula C15H20ClF2NO2 and a molecular weight of 319.78 g/mol. Its IUPAC name is 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol
PubChem CID69463164
Molecular FormulaC15H20ClF2NO2
Molecular Weight319.78 g/mol
Exact Mass319.12
IUPAC Name4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol
SMILESOC1(CCCc2cccc(OC(F)F)c2Cl)CCNCC1
InChIInChI=1S/C15H20ClF2NO2/c16-13-11(3-1-5-12(13)21-14(17)18)4-2-6-15(20)7-9-19-10-8-15/h1,3,5,14,19-20H,2,4,6-10H2
InChIKeyUGIBCFNZPBWMJR-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol?
The IUPAC name of 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol (CID 69463164) is 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol?
The canonical SMILES for 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol is OC1(CCCc2cccc(OC(F)F)c2Cl)CCNCC1.
What is the InChIKey of 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol?
The InChIKey is UGIBCFNZPBWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO2/c16-13-11(3-1-5-12(13)21-14(17)18)4-2-6-15(20)7-9-19-10-8-15/h1,3,5,14,19-20H,2,4,6-10H2.
What are the key properties of 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol?
4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol has a molecular weight of 319.78 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-chloro-3-(difluoromethoxy)phenyl]propyl]piperidin-4-ol is sourced from PubChem (CID 69463164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).