2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol

C12H16FNO2 — CID 117323641

IUPAC2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(CC2CCCCN2)c(O)c1F
InChIInChI=1S/C12H16FNO2/c13-11-10(15)5-4-8(12(11)16)7-9-3-1-2-6-14-9/h4-5,9,14-16H,1-3,6-7H2
InChIKeyZIBAHQNKJCUGLZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.92
Rot. Bonds2

About 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol

2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol (PubChem CID 117323641) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
PubChem CID117323641
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(CC2CCCCN2)c(O)c1F
InChIInChI=1S/C12H16FNO2/c13-11-10(15)5-4-8(12(11)16)7-9-3-1-2-6-14-9/h4-5,9,14-16H,1-3,6-7H2
InChIKeyZIBAHQNKJCUGLZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
3-fluoro-2-methylsulfonyl-4-(piperidin-2-ylmethyl)phenol
CID 117463664
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
4-fluoro-6-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385663
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol?
The IUPAC name of 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol (CID 117323641) is 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol is Oc1ccc(CC2CCCCN2)c(O)c1F.
What is the InChIKey of 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol?
The InChIKey is ZIBAHQNKJCUGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-10(15)5-4-8(12(11)16)7-9-3-1-2-6-14-9/h4-5,9,14-16H,1-3,6-7H2.
What are the key properties of 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol?
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol has a molecular weight of 225.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 117323641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).