4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol

C13H17ClFNO2 — CID 117437158

IUPAC4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-10(14)6-9(12(17)11(13)15)5-8-3-2-4-16-7-8/h6,8,16-17H,2-5,7H2,1H3
InChIKeyQHMBISINGQOPFJ-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol

4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol (PubChem CID 117437158) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol
PubChem CID117437158
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-10(14)6-9(12(17)11(13)15)5-8-3-2-4-16-7-8/h6,8,16-17H,2-5,7H2,1H3
InChIKeyQHMBISINGQOPFJ-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol (CID 117437158) is 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol is COc1c(Cl)cc(CC2CCCNC2)c(O)c1F.
What is the InChIKey of 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol?
The InChIKey is QHMBISINGQOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-13-10(14)6-9(12(17)11(13)15)5-8-3-2-4-16-7-8/h6,8,16-17H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol?
4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol has a molecular weight of 273.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-3-methoxy-6-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 117437158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).