2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

C16H24N2O3 — CID 28967218

IUPAC2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(CN)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-20-15-10-13(11-17)6-7-14(15)21-12-16(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11-12,17H2,1H3
InChIKeyMOIZEHTUSLHTRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (PubChem CID 28967218) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
PubChem CID28967218
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(CN)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-20-15-10-13(11-17)6-7-14(15)21-12-16(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11-12,17H2,1H3
InChIKeyMOIZEHTUSLHTRI-UHFFFAOYSA-N
XLogP1.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[5-(aminomethyl)-2-nitrophenoxy]-1-piperidin-1-ylethanone
CID 62116551
2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 119163603
2-[2-ethoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 47624012
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 119483987
2-[4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 39965932
2-[2-ethoxy-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 120962275
2-[2-ethoxy-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 120962274
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
(4-cyano-2-ethoxyphenyl) 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 55336527

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (CID 28967218) is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is CCOc1cc(CN)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The InChIKey is MOIZEHTUSLHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-20-15-10-13(11-17)6-7-14(15)21-12-16(19)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11-12,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 28967218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).