4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine

C18H28FNO — CID 54415158

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FNO/c1-2-3-4-12-20-13-9-16(10-14-20)11-15-21-18-7-5-17(19)6-8-18/h5-8,16H,2-4,9-15H2,1H3
InChIKeyVWWQIXLVPROJOZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.50
Rot. Bonds8

About 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine (PubChem CID 54415158) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
PubChem CID54415158
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FNO/c1-2-3-4-12-20-13-9-16(10-14-20)11-15-21-18-7-5-17(19)6-8-18/h5-8,16H,2-4,9-15H2,1H3
InChIKeyVWWQIXLVPROJOZ-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
CID 54424720
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
CID 70080513
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine (CID 54415158) is 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine is CCCCCN1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine?
The InChIKey is VWWQIXLVPROJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-2-3-4-12-20-13-9-16(10-14-20)11-15-21-18-7-5-17(19)6-8-18/h5-8,16H,2-4,9-15H2,1H3.
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine?
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine has a molecular weight of 293.43 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine is sourced from PubChem (CID 54415158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).