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

C12H13ClF3N — CID 117118178

IUPAC2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
SMILESFc1cc(CC2CCCCN2)c(F)c(Cl)c1F
InChIInChI=1S/C12H13ClF3N/c13-10-11(15)7(6-9(14)12(10)16)5-8-3-1-2-4-17-8/h6,8,17H,1-5H2
InChIKeyRMRVPKVQLXTOOP-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.44
Rot. Bonds2

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

2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine (PubChem CID 117118178) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
PubChem CID117118178
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
SMILESFc1cc(CC2CCCCN2)c(F)c(Cl)c1F
InChIInChI=1S/C12H13ClF3N/c13-10-11(15)7(6-9(14)12(10)16)5-8-3-1-2-4-17-8/h6,8,17H,1-5H2
InChIKeyRMRVPKVQLXTOOP-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.44
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'}

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Related Compounds

2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
2-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117397554
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine (CID 117118178) is 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine is Fc1cc(CC2CCCCN2)c(F)c(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine?
The InChIKey is RMRVPKVQLXTOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-10-11(15)7(6-9(14)12(10)16)5-8-3-1-2-4-17-8/h6,8,17H,1-5H2.
What are the key properties of 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine?
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine has a molecular weight of 263.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine is sourced from PubChem (CID 117118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).