3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine

C22H35FN2O — CID 56862084

IUPAC3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
SMILESCOCCN1CCC(CN2CCCC(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H35FN2O/c1-26-16-15-24-13-10-21(11-14-24)18-25-12-2-3-20(17-25)5-4-19-6-8-22(23)9-7-19/h6-9,20-21H,2-5,10-18H2,1H3
InChIKeyQALHWIYUSKRZBJ-UHFFFAOYSA-N
MW362.53 g/mol
LogP3.83
Rot. Bonds8

About 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine

3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine (PubChem CID 56862084) has the molecular formula C22H35FN2O and a molecular weight of 362.53 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
PubChem CID56862084
Molecular FormulaC22H35FN2O
Molecular Weight362.53 g/mol
Exact Mass362.27
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
SMILESCOCCN1CCC(CN2CCCC(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H35FN2O/c1-26-16-15-24-13-10-21(11-14-24)18-25-12-2-3-20(17-25)5-4-19-6-8-22(23)9-7-19/h6-9,20-21H,2-5,10-18H2,1H3
InChIKeyQALHWIYUSKRZBJ-UHFFFAOYSA-N
XLogP3.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 95730431
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
CID 91829440
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine (CID 56862084) is 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine is COCCN1CCC(CN2CCCC(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is QALHWIYUSKRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN2O/c1-26-16-15-24-13-10-21(11-14-24)18-25-12-2-3-20(17-25)5-4-19-6-8-22(23)9-7-19/h6-9,20-21H,2-5,10-18H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine?
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 362.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 56862084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).