3-[2-(2,5-difluorophenyl)ethyl]piperidine

C13H17F2N — CID 62234772

IUPAC3-[2-(2,5-difluorophenyl)ethyl]piperidine
SMILESFc1ccc(F)c(CCC2CCCNC2)c1
InChIInChI=1S/C13H17F2N/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
InChIKeyISOLSQCTUCTTIC-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds3

About 3-[2-(2,5-difluorophenyl)ethyl]piperidine

3-[2-(2,5-difluorophenyl)ethyl]piperidine (PubChem CID 62234772) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[2-(2,5-difluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,5-difluorophenyl)ethyl]piperidine
PubChem CID62234772
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[2-(2,5-difluorophenyl)ethyl]piperidine
SMILESFc1ccc(F)c(CCC2CCCNC2)c1
InChIInChI=1S/C13H17F2N/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
InChIKeyISOLSQCTUCTTIC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
CID 117044344
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
3-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 56830445

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-difluorophenyl)ethyl]piperidine?
The IUPAC name of 3-[2-(2,5-difluorophenyl)ethyl]piperidine (CID 62234772) is 3-[2-(2,5-difluorophenyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2,5-difluorophenyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(2,5-difluorophenyl)ethyl]piperidine is Fc1ccc(F)c(CCC2CCCNC2)c1.
What is the InChIKey of 3-[2-(2,5-difluorophenyl)ethyl]piperidine?
The InChIKey is ISOLSQCTUCTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2.
What are the key properties of 3-[2-(2,5-difluorophenyl)ethyl]piperidine?
3-[2-(2,5-difluorophenyl)ethyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-difluorophenyl)ethyl]piperidine is sourced from PubChem (CID 62234772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).