6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol

C13H18FNO — CID 117320369

IUPAC6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1ccc(F)c(O)c1CC1CCCCN1
InChIInChI=1S/C13H18FNO/c1-9-5-6-12(14)13(16)11(9)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyQVQNSTACZWDBJW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol

6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117320369) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
PubChem CID117320369
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1ccc(F)c(O)c1CC1CCCCN1
InChIInChI=1S/C13H18FNO/c1-9-5-6-12(14)13(16)11(9)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyQVQNSTACZWDBJW-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
CID 117382256
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
CID 117409121
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol (CID 117320369) is 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol is Cc1ccc(F)c(O)c1CC1CCCCN1.
What is the InChIKey of 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is QVQNSTACZWDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-6-12(14)13(16)11(9)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3.
What are the key properties of 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117320369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).