1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine

C22H29FN2O2 — CID 45242776

IUPAC1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
SMILESCCOCc1cc(CN2CCCC(Nc3ccc(F)cc3)C2)ccc1OC
InChIInChI=1S/C22H29FN2O2/c1-3-27-16-18-13-17(6-11-22(18)26-2)14-25-12-4-5-21(15-25)24-20-9-7-19(23)8-10-20/h6-11,13,21,24H,3-5,12,14-16H2,1-2H3
InChIKeyBNIQKBYZYMVULH-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.45
Rot. Bonds8

About 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine

1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine (PubChem CID 45242776) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
PubChem CID45242776
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
SMILESCCOCc1cc(CN2CCCC(Nc3ccc(F)cc3)C2)ccc1OC
InChIInChI=1S/C22H29FN2O2/c1-3-27-16-18-13-17(6-11-22(18)26-2)14-25-12-4-5-21(15-25)24-20-9-7-19(23)8-10-20/h6-11,13,21,24H,3-5,12,14-16H2,1-2H3
InChIKeyBNIQKBYZYMVULH-UHFFFAOYSA-N
XLogP4.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968478
(3R,4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164691677
2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-2-yl]ethanol
CID 28768383
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
(1S,5S)-3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74243892
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
CID 57479972
8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966028
2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29255314
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine?
The IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine (CID 45242776) is 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine is CCOCc1cc(CN2CCCC(Nc3ccc(F)cc3)C2)ccc1OC.
What is the InChIKey of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine?
The InChIKey is BNIQKBYZYMVULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-3-27-16-18-13-17(6-11-22(18)26-2)14-25-12-4-5-21(15-25)24-20-9-7-19(23)8-10-20/h6-11,13,21,24H,3-5,12,14-16H2,1-2H3.
What are the key properties of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine?
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine has a molecular weight of 372.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 45242776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).