4-fluoro-3-methyl-2-piperidin-4-ylphenol

C12H16FNO — CID 84676985

IUPAC4-fluoro-3-methyl-2-piperidin-4-ylphenol
SMILESCc1c(F)ccc(O)c1C1CCNCC1
InChIInChI=1S/C12H16FNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyVEWLPXALBDWJNI-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.31
Rot. Bonds1

About 4-fluoro-3-methyl-2-piperidin-4-ylphenol

4-fluoro-3-methyl-2-piperidin-4-ylphenol (PubChem CID 84676985) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2-piperidin-4-ylphenol.

Molecular Properties

Compound Name4-fluoro-3-methyl-2-piperidin-4-ylphenol
PubChem CID84676985
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-3-methyl-2-piperidin-4-ylphenol
SMILESCc1c(F)ccc(O)c1C1CCNCC1
InChIInChI=1S/C12H16FNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3
InChIKeyVEWLPXALBDWJNI-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2-piperidin-4-ylphenol?
The IUPAC name of 4-fluoro-3-methyl-2-piperidin-4-ylphenol (CID 84676985) is 4-fluoro-3-methyl-2-piperidin-4-ylphenol.
What is the SMILES notation for 4-fluoro-3-methyl-2-piperidin-4-ylphenol?
The canonical SMILES for 4-fluoro-3-methyl-2-piperidin-4-ylphenol is Cc1c(F)ccc(O)c1C1CCNCC1.
What is the InChIKey of 4-fluoro-3-methyl-2-piperidin-4-ylphenol?
The InChIKey is VEWLPXALBDWJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-10(13)2-3-11(15)12(8)9-4-6-14-7-5-9/h2-3,9,14-15H,4-7H2,1H3.
What are the key properties of 4-fluoro-3-methyl-2-piperidin-4-ylphenol?
4-fluoro-3-methyl-2-piperidin-4-ylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2-piperidin-4-ylphenol is sourced from PubChem (CID 84676985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).