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

C13H17ClFNO2 — CID 117437164

IUPAC6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol
SMILESCOc1c(CC2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-9(6-8-2-4-16-5-3-8)7-10(14)12(17)11(13)15/h7-8,16-17H,2-6H2,1H3
InChIKeyMQFBHGBUVFNFHB-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.74
Rot. Bonds3

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

6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol (PubChem CID 117437164) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol
PubChem CID117437164
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol
SMILESCOc1c(CC2CCNCC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-9(6-8-2-4-16-5-3-8)7-10(14)12(17)11(13)15/h7-8,16-17H,2-6H2,1H3
InChIKeyMQFBHGBUVFNFHB-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 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol (CID 117437164) is 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol is COc1c(CC2CCNCC2)cc(Cl)c(O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol?
The InChIKey is MQFBHGBUVFNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-13-9(6-8-2-4-16-5-3-8)7-10(14)12(17)11(13)15/h7-8,16-17H,2-6H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol?
6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-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 6-chloro-2-fluoro-3-methoxy-4-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).