4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride

C24H41Cl2FN2O — CID 70080514

IUPAC4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1
InChIInChI=1S/C24H39FN2O.2ClH/c25-22-9-11-24(12-10-22)28-20-15-21-13-18-27(19-14-21)17-6-2-1-3-7-23-8-4-5-16-26-23;;/h9-12,21,23,26H,1-8,13-20H2;2*1H
InChIKeyRDFICFAXAOMZIC-UHFFFAOYSA-N
MW463.51 g/mol
LogP6.24
Rot. Bonds11

About 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride

4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride (PubChem CID 70080514) has the molecular formula C24H41Cl2FN2O and a molecular weight of 463.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
PubChem CID70080514
Molecular FormulaC24H41Cl2FN2O
Molecular Weight463.51 g/mol
Exact Mass462.26
IUPAC Name4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1
InChIInChI=1S/C24H39FN2O.2ClH/c25-22-9-11-24(12-10-22)28-20-15-21-13-18-27(19-14-21)17-6-2-1-3-7-23-8-4-5-16-26-23;;/h9-12,21,23,26H,1-8,13-20H2;2*1H
InChIKeyRDFICFAXAOMZIC-UHFFFAOYSA-N
XLogP6.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54415158
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CID 70109158
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-(3-phenylpropyl)-1-(6-piperidin-2-ylhexyl)piperidine
CID 70079298
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CID 94751423
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride (CID 70080514) is 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride is Cl.Cl.Fc1ccc(OCCC2CCN(CCCCCCC3CCCCN3)CC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride?
The InChIKey is RDFICFAXAOMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN2O.2ClH/c25-22-9-11-24(12-10-22)28-20-15-21-13-18-27(19-14-21)17-6-2-1-3-7-23-8-4-5-16-26-23;;/h9-12,21,23,26H,1-8,13-20H2;2*1H.
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride?
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride has a molecular weight of 463.51 g/mol, XLogP of 6.24, 11 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-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride is sourced from PubChem (CID 70080514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).