1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine

C24H39FN2O — CID 70080513

IUPAC1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
SMILESCCCCCCC1CCCCN1N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C24H39FN2O/c1-2-3-4-5-8-23-9-6-7-17-27(23)26-18-14-21(15-19-26)16-20-28-24-12-10-22(25)11-13-24/h10-13,21,23H,2-9,14-20H2,1H3
InChIKeyDNWCDGIFEJNCIB-UHFFFAOYSA-N
MW390.59 g/mol
LogP6.05
Rot. Bonds10

About 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine

1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine (PubChem CID 70080513) has the molecular formula C24H39FN2O and a molecular weight of 390.59 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
PubChem CID70080513
Molecular FormulaC24H39FN2O
Molecular Weight390.59 g/mol
Exact Mass390.30
IUPAC Name1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
SMILESCCCCCCC1CCCCN1N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C24H39FN2O/c1-2-3-4-5-8-23-9-6-7-17-27(23)26-18-14-21(15-19-26)16-20-28-24-12-10-22(25)11-13-24/h10-13,21,23H,2-9,14-20H2,1H3
InChIKeyDNWCDGIFEJNCIB-UHFFFAOYSA-N
XLogP6.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-fluoro-4-[3-(2-pentylcyclohexyl)propoxy]benzene
CID 56982189
1-fluoro-4-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]benzene
CID 57204959
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
CID 174360075
N-(2-cyclohexylethyl)-4-hexoxyaniline
CID 83961487
4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride
CID 70097667
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine?
The IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine (CID 70080513) is 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine.
What is the SMILES notation for 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine?
The canonical SMILES for 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine is CCCCCCC1CCCCN1N1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine?
The InChIKey is DNWCDGIFEJNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN2O/c1-2-3-4-5-8-23-9-6-7-17-27(23)26-18-14-21(15-19-26)16-20-28-24-12-10-22(25)11-13-24/h10-13,21,23H,2-9,14-20H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine?
1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine has a molecular weight of 390.59 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine is sourced from PubChem (CID 70080513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).