4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol

C13H18FNO — CID 117320372

IUPAC4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-6-13(16)10(8-12(9)14)7-11-4-2-3-5-15-11/h6,8,11,15-16H,2-5,7H2,1H3
InChIKeyRPIWNBIOUPLTDX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds2

About 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol

4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117320372) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
PubChem CID117320372
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-6-13(16)10(8-12(9)14)7-11-4-2-3-5-15-11/h6,8,11,15-16H,2-5,7H2,1H3
InChIKeyRPIWNBIOUPLTDX-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-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
4-fluoro-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117435690
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol (CID 117320372) is 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol is Cc1cc(O)c(CC2CCCCN2)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is RPIWNBIOUPLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-13(16)10(8-12(9)14)7-11-4-2-3-5-15-11/h6,8,11,15-16H,2-5,7H2,1H3.
What are the key properties of 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol?
4-fluoro-5-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 4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117320372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).