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

C13H18FNO — CID 117320371

IUPAC4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1c(F)ccc(O)c1CC1CCCCN1
InChIInChI=1S/C13H18FNO/c1-9-11(13(16)6-5-12(9)14)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyMBFLMDBGUGVXSU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds2

About 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol

4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117320371) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
PubChem CID117320371
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
SMILESCc1c(F)ccc(O)c1CC1CCCCN1
InChIInChI=1S/C13H18FNO/c1-9-11(13(16)6-5-12(9)14)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3
InChIKeyMBFLMDBGUGVXSU-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

6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
3-fluoro-2-methylsulfonyl-4-(piperidin-2-ylmethyl)phenol
CID 117463664
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
CID 117382256
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol (CID 117320371) is 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol is Cc1c(F)ccc(O)c1CC1CCCCN1.
What is the InChIKey of 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is MBFLMDBGUGVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-11(13(16)6-5-12(9)14)8-10-4-2-3-7-15-10/h5-6,10,15-16H,2-4,7-8H2,1H3.
What are the key properties of 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol?
4-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 4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117320371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).