1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride

C20H31ClFNO — CID 174360075

IUPAC1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
SMILESCC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C20H30FNO.ClH/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20;/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3;1H
InChIKeyPFJFOGFFRAITMG-UHFFFAOYSA-N
MW355.93 g/mol
LogP5.45
Rot. Bonds5

About 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride

1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride (PubChem CID 174360075) has the molecular formula C20H31ClFNO and a molecular weight of 355.93 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
PubChem CID174360075
Molecular FormulaC20H31ClFNO
Molecular Weight355.93 g/mol
Exact Mass355.21
IUPAC Name1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
SMILESCC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C20H30FNO.ClH/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20;/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3;1H
InChIKeyPFJFOGFFRAITMG-UHFFFAOYSA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.93
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benproperine
CID 2326
S1R agonist 1
CID 1328600
3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene
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1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
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1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 11978858
1-[3-[4-(4-Pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
CID 11978859
3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947570
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride?
The IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride (CID 174360075) is 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride is CC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride?
The InChIKey is PFJFOGFFRAITMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO.ClH/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20;/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3;1H.
What are the key properties of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride?
1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 174360075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).