2,4-difluoro-6-(piperidin-3-ylmethyl)phenol

C12H15F2NO — CID 84791352

IUPAC2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
SMILESOc1c(F)cc(F)cc1CC1CCCNC1
InChIInChI=1S/C12H15F2NO/c13-10-5-9(12(16)11(14)6-10)4-8-2-1-3-15-7-8/h5-6,8,15-16H,1-4,7H2
InChIKeyPVBBNHSJIYJBGR-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.21
Rot. Bonds2

About 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol

2,4-difluoro-6-(piperidin-3-ylmethyl)phenol (PubChem CID 84791352) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
PubChem CID84791352
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
SMILESOc1c(F)cc(F)cc1CC1CCCNC1
InChIInChI=1S/C12H15F2NO/c13-10-5-9(12(16)11(14)6-10)4-8-2-1-3-15-7-8/h5-6,8,15-16H,1-4,7H2
InChIKeyPVBBNHSJIYJBGR-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-nitro-6-(piperidin-3-ylmethyl)phenol
CID 117388704
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol (CID 84791352) is 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol is Oc1c(F)cc(F)cc1CC1CCCNC1.
What is the InChIKey of 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol?
The InChIKey is PVBBNHSJIYJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-5-9(12(16)11(14)6-10)4-8-2-1-3-15-7-8/h5-6,8,15-16H,1-4,7H2.
What are the key properties of 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol?
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol has a molecular weight of 227.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84791352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).