4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine

C13H17ClFN — CID 79320257

IUPAC4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFN/c1-2-9-8-16-7-6-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyHKIUCXAZRJLCPF-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.58
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine

4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine (PubChem CID 79320257) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
PubChem CID79320257
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
SMILESCCC1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFN/c1-2-9-8-16-7-6-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyHKIUCXAZRJLCPF-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
CID 79320231
4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320733
4-(3,5-dichlorophenyl)-3-ethylpiperidine
CID 79310849
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
3-ethyl-4-phenylpiperidine
CID 56828112
4-(2,5-difluorophenyl)-3-ethylpiperidine
CID 79320741
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
3-ethyl-4-thiophen-2-ylpiperidine
CID 79320840
(3R,4S)-3-(2-chlorophenyl)-4-ethylpyrrolidine
CID 125453363
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine (CID 79320257) is 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine is CCC1CNCCC1c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine?
The InChIKey is HKIUCXAZRJLCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-2-9-8-16-7-6-10(9)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine?
4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine has a molecular weight of 241.74 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine is sourced from PubChem (CID 79320257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).