1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine

C23H30FNO3 — CID 66995897

IUPAC1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCOC(Cc1ccccc1)(OC)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FNO3/c1-26-23(27-2,18-20-6-4-3-5-7-20)25-15-12-19(13-16-25)14-17-28-22-10-8-21(24)9-11-22/h3-11,19H,12-18H2,1-2H3
InChIKeyFGVJTJDRKVDKRO-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.50
Rot. Bonds9

About 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine

1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine (PubChem CID 66995897) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
PubChem CID66995897
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Name1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCOC(Cc1ccccc1)(OC)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FNO3/c1-26-23(27-2,18-20-6-4-3-5-7-20)25-15-12-19(13-16-25)14-17-28-22-10-8-21(24)9-11-22/h3-11,19H,12-18H2,1-2H3
InChIKeyFGVJTJDRKVDKRO-UHFFFAOYSA-N
XLogP4.50
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
anisole;1-ethyl-4-(2-phenoxyethyl)piperidine
CID 174661948
1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine;hydrochloride
CID 174360075
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine
CID 22390871
4-bromo-5-[[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one
CID 11612831
1-[[(3R)-1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 142015455
1-(4-fluorophenyl)-3-[2-[4-(2-phenoxyethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 22390759
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine (CID 66995897) is 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine is COC(Cc1ccccc1)(OC)N1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
The InChIKey is FGVJTJDRKVDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-26-23(27-2,18-20-6-4-3-5-7-20)25-15-12-19(13-16-25)14-17-28-22-10-8-21(24)9-11-22/h3-11,19H,12-18H2,1-2H3.
What are the key properties of 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine?
1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine has a molecular weight of 387.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxy-2-phenylethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 66995897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).