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

C12H15F2NO — CID 117326852

IUPAC2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)c(F)c1F
InChIInChI=1S/C12H15F2NO/c13-11-8(4-5-10(16)12(11)14)7-9-3-1-2-6-15-9/h4-5,9,15-16H,1-3,6-7H2
InChIKeyLQRZULMCFMSUFW-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.36
Rot. Bonds2

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

2,3-difluoro-4-(piperidin-2-ylmethyl)phenol (PubChem CID 117326852) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
PubChem CID117326852
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
SMILESOc1ccc(CC2CCCCN2)c(F)c1F
InChIInChI=1S/C12H15F2NO/c13-11-8(4-5-10(16)12(11)14)7-9-3-1-2-6-15-9/h4-5,9,15-16H,1-3,6-7H2
InChIKeyLQRZULMCFMSUFW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
3-fluoro-2-methylsulfonyl-4-(piperidin-2-ylmethyl)phenol
CID 117463664
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117371669
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol (CID 117326852) is 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol is Oc1ccc(CC2CCCCN2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol?
The InChIKey is LQRZULMCFMSUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-8(4-5-10(16)12(11)14)7-9-3-1-2-6-15-9/h4-5,9,15-16H,1-3,6-7H2.
What are the key properties of 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol?
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol has a molecular weight of 227.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).