2-[(2,3,5-trifluorophenyl)methyl]piperidine

C12H14F3N — CID 117118174

IUPAC2-[(2,3,5-trifluorophenyl)methyl]piperidine
SMILESFc1cc(F)c(F)c(CC2CCCCN2)c1
InChIInChI=1S/C12H14F3N/c13-9-5-8(12(15)11(14)7-9)6-10-3-1-2-4-16-10/h5,7,10,16H,1-4,6H2
InChIKeyFWEZCGPRGQPBIN-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.79
Rot. Bonds2

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

2-[(2,3,5-trifluorophenyl)methyl]piperidine (PubChem CID 117118174) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(2,3,5-trifluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,3,5-trifluorophenyl)methyl]piperidine
PubChem CID117118174
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[(2,3,5-trifluorophenyl)methyl]piperidine
SMILESFc1cc(F)c(F)c(CC2CCCCN2)c1
InChIInChI=1S/C12H14F3N/c13-9-5-8(12(15)11(14)7-9)6-10-3-1-2-4-16-10/h5,7,10,16H,1-4,6H2
InChIKeyFWEZCGPRGQPBIN-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5-trifluorophenyl)methyl]piperidine?
The IUPAC name of 2-[(2,3,5-trifluorophenyl)methyl]piperidine (CID 117118174) is 2-[(2,3,5-trifluorophenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,3,5-trifluorophenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,3,5-trifluorophenyl)methyl]piperidine is Fc1cc(F)c(F)c(CC2CCCCN2)c1.
What is the InChIKey of 2-[(2,3,5-trifluorophenyl)methyl]piperidine?
The InChIKey is FWEZCGPRGQPBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-9-5-8(12(15)11(14)7-9)6-10-3-1-2-4-16-10/h5,7,10,16H,1-4,6H2.
What are the key properties of 2-[(2,3,5-trifluorophenyl)methyl]piperidine?
2-[(2,3,5-trifluorophenyl)methyl]piperidine has a molecular weight of 229.24 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 2-[(2,3,5-trifluorophenyl)methyl]piperidine is sourced from PubChem (CID 117118174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).