4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine

C14H20FNO — CID 114272156

IUPAC4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine
SMILESCc1cccc(OC2CC(C)NC(C)C2)c1F
InChIInChI=1S/C14H20FNO/c1-9-5-4-6-13(14(9)15)17-12-7-10(2)16-11(3)8-12/h4-6,10-12,16H,7-8H2,1-3H3
InChIKeyQKSMIADHQXCWMC-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.04
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine

4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine (PubChem CID 114272156) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine
PubChem CID114272156
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine
SMILESCc1cccc(OC2CC(C)NC(C)C2)c1F
InChIInChI=1S/C14H20FNO/c1-9-5-4-6-13(14(9)15)17-12-7-10(2)16-11(3)8-12/h4-6,10-12,16H,7-8H2,1-3H3
InChIKeyQKSMIADHQXCWMC-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine (CID 114272156) is 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine is Cc1cccc(OC2CC(C)NC(C)C2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine?
The InChIKey is QKSMIADHQXCWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-5-4-6-13(14(9)15)17-12-7-10(2)16-11(3)8-12/h4-6,10-12,16H,7-8H2,1-3H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine?
4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine has a molecular weight of 237.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-2,6-dimethylpiperidine is sourced from PubChem (CID 114272156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).