2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol

C12H14F3NO — CID 117364513

IUPAC2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
SMILESOc1cc(F)c(F)c(CC2CCNCC2)c1F
InChIInChI=1S/C12H14F3NO/c13-9-6-10(17)12(15)8(11(9)14)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2
InChIKeyXAIHBGLAHQIAEM-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.35
Rot. Bonds2

About 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol

2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol (PubChem CID 117364513) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
PubChem CID117364513
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
SMILESOc1cc(F)c(F)c(CC2CCNCC2)c1F
InChIInChI=1S/C12H14F3NO/c13-9-6-10(17)12(15)8(11(9)14)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2
InChIKeyXAIHBGLAHQIAEM-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-bromo-3,5-difluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84814975
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 117486676

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol (CID 117364513) is 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol is Oc1cc(F)c(F)c(CC2CCNCC2)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol?
The InChIKey is XAIHBGLAHQIAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-9-6-10(17)12(15)8(11(9)14)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2.
What are the key properties of 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol?
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol has a molecular weight of 245.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117364513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).