4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine

C12H13F4N — CID 117117923

IUPAC4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
SMILESFc1cc(CC2CCNCC2)c(F)c(F)c1F
InChIInChI=1S/C12H13F4N/c13-9-6-8(10(14)12(16)11(9)15)5-7-1-3-17-4-2-7/h6-7,17H,1-5H2
InChIKeyZBWGUPNIKUHJOH-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.79
Rot. Bonds2

About 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine

4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine (PubChem CID 117117923) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
PubChem CID117117923
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
SMILESFc1cc(CC2CCNCC2)c(F)c(F)c1F
InChIInChI=1S/C12H13F4N/c13-9-6-8(10(14)12(16)11(9)15)5-7-1-3-17-4-2-7/h6-7,17H,1-5H2
InChIKeyZBWGUPNIKUHJOH-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
CID 117323666
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,5-difluoro-3-methylsulfonylphenyl)methyl]piperidine
CID 117467494

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine (CID 117117923) is 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine is Fc1cc(CC2CCNCC2)c(F)c(F)c1F.
What is the InChIKey of 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine?
The InChIKey is ZBWGUPNIKUHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-9-6-8(10(14)12(16)11(9)15)5-7-1-3-17-4-2-7/h6-7,17H,1-5H2.
What are the key properties of 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine?
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine has a molecular weight of 247.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine is sourced from PubChem (CID 117117923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).