4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride

C23H39Cl2FN2O — CID 70097667

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride
SMILESCCCCC(C1CCCNC1)N1CCC(CCOc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H37FN2O.2ClH/c1-2-3-6-23(20-5-4-14-25-18-20)26-15-11-19(12-16-26)13-17-27-22-9-7-21(24)8-10-22;;/h7-10,19-20,23,25H,2-6,11-18H2,1H3;2*1H
InChIKeyUQKZPVIRLIBVSK-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.71
Rot. Bonds9

About 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride

4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride (PubChem CID 70097667) has the molecular formula C23H39Cl2FN2O and a molecular weight of 449.48 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride
PubChem CID70097667
Molecular FormulaC23H39Cl2FN2O
Molecular Weight449.48 g/mol
Exact Mass448.24
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride
SMILESCCCCC(C1CCCNC1)N1CCC(CCOc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H37FN2O.2ClH/c1-2-3-6-23(20-5-4-14-25-18-20)26-15-11-19(12-16-26)13-17-27-22-9-7-21(24)8-10-22;;/h7-10,19-20,23,25H,2-6,11-18H2,1H3;2*1H
InChIKeyUQKZPVIRLIBVSK-UHFFFAOYSA-N
XLogP5.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-2-hexylpiperidine
CID 70080513
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol
CID 112509368
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
CID 174360075
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride (CID 70097667) is 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride is CCCCC(C1CCCNC1)N1CCC(CCOc2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride?
The InChIKey is UQKZPVIRLIBVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN2O.2ClH/c1-2-3-6-23(20-5-4-14-25-18-20)26-15-11-19(12-16-26)13-17-27-22-9-7-21(24)8-10-22;;/h7-10,19-20,23,25H,2-6,11-18H2,1H3;2*1H.
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride?
4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride has a molecular weight of 449.48 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride is sourced from PubChem (CID 70097667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).