4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol

C13H18FNO — CID 84688586

IUPAC4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
SMILESOc1ccc(CF)cc1CC1CCCNC1
InChIInChI=1S/C13H18FNO/c14-8-10-3-4-13(16)12(6-10)7-11-2-1-5-15-9-11/h3-4,6,11,15-16H,1-2,5,7-9H2
InChIKeyLLMHMRPVSGQBIK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds3

About 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol

4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol (PubChem CID 84688586) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
PubChem CID84688586
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
SMILESOc1ccc(CF)cc1CC1CCCNC1
InChIInChI=1S/C13H18FNO/c14-8-10-3-4-13(16)12(6-10)7-11-2-1-5-15-9-11/h3-4,6,11,15-16H,1-2,5,7-9H2
InChIKeyLLMHMRPVSGQBIK-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-(piperidin-3-ylmethyl)phenol
CID 57155980
4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
CID 84666184
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol (CID 84688586) is 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol is Oc1ccc(CF)cc1CC1CCCNC1.
What is the InChIKey of 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol?
The InChIKey is LLMHMRPVSGQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-8-10-3-4-13(16)12(6-10)7-11-2-1-5-15-9-11/h3-4,6,11,15-16H,1-2,5,7-9H2.
What are the key properties of 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol?
4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84688586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).