2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine

C13H17ClFN — CID 117356635

IUPAC2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
SMILESFCc1ccc(CC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c14-13-7-10(9-15)4-5-11(13)8-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2
InChIKeyZOANKSYEHIHHHR-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.49
Rot. Bonds3

About 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine

2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine (PubChem CID 117356635) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
PubChem CID117356635
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
SMILESFCc1ccc(CC2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c14-13-7-10(9-15)4-5-11(13)8-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2
InChIKeyZOANKSYEHIHHHR-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353
2-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
CID 117393114
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine (CID 117356635) is 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine is FCc1ccc(CC2CCCCN2)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine?
The InChIKey is ZOANKSYEHIHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-13-7-10(9-15)4-5-11(13)8-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2.
What are the key properties of 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine?
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine has a molecular weight of 241.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117356635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).