4-(2-ethyl-4-fluorophenoxy)piperidine

C13H18FNO — CID 22397525

IUPAC4-(2-ethyl-4-fluorophenoxy)piperidine
SMILESCCc1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C13H18FNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3
InChIKeyDZPPMPHWYRTPBR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds3

About 4-(2-ethyl-4-fluorophenoxy)piperidine

4-(2-ethyl-4-fluorophenoxy)piperidine (PubChem CID 22397525) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(2-ethyl-4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(2-ethyl-4-fluorophenoxy)piperidine
PubChem CID22397525
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(2-ethyl-4-fluorophenoxy)piperidine
SMILESCCc1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C13H18FNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3
InChIKeyDZPPMPHWYRTPBR-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
(3S)-3-[(1S)-1-(2-ethyl-4-fluorophenoxy)propyl]pyrrolidine
CID 66848796
4-(2,5-difluorophenoxy)azepane
CID 63905212
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one
CID 10265259
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-fluorophenoxy)piperidine?
The IUPAC name of 4-(2-ethyl-4-fluorophenoxy)piperidine (CID 22397525) is 4-(2-ethyl-4-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(2-ethyl-4-fluorophenoxy)piperidine?
The canonical SMILES for 4-(2-ethyl-4-fluorophenoxy)piperidine is CCc1cc(F)ccc1OC1CCNCC1.
What is the InChIKey of 4-(2-ethyl-4-fluorophenoxy)piperidine?
The InChIKey is DZPPMPHWYRTPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3.
What are the key properties of 4-(2-ethyl-4-fluorophenoxy)piperidine?
4-(2-ethyl-4-fluorophenoxy)piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-fluorophenoxy)piperidine is sourced from PubChem (CID 22397525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).