1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine

C19H30FNO — CID 70054145

IUPAC1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCC(CC)CN1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FNO/c1-3-16(4-2)15-21-12-9-17(10-13-21)11-14-22-19-7-5-18(20)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyYXQIWPRXGFBJAI-UHFFFAOYSA-N
MW307.45 g/mol
LogP4.74
Rot. Bonds8

About 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine

1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine (PubChem CID 70054145) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
PubChem CID70054145
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCC(CC)CN1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FNO/c1-3-16(4-2)15-21-12-9-17(10-13-21)11-14-22-19-7-5-18(20)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyYXQIWPRXGFBJAI-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine
CID 22390871
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
CID 70080513
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 66995897

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine (CID 70054145) is 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine is CCC(CC)CN1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The InChIKey is YXQIWPRXGFBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-3-16(4-2)15-21-12-9-17(10-13-21)11-14-22-19-7-5-18(20)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine has a molecular weight of 307.45 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 70054145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).