2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone

C22H28N2O3 — CID 139677549

IUPAC2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CN)cc1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-26-20-8-7-19(15-23)14-21(20)27-16-22(25)24-11-9-18(10-12-24)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16,23H2,1H3
InChIKeyOVGZINKMRMACAD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds7

About 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone

2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone (PubChem CID 139677549) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
PubChem CID139677549
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CN)cc1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-26-20-8-7-19(15-23)14-21(20)27-16-22(25)24-11-9-18(10-12-24)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16,23H2,1H3
InChIKeyOVGZINKMRMACAD-UHFFFAOYSA-N
XLogP3.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 7931900
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
CID 11675741
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 16503553
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 5078651
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile
CID 7893208
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
2-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506198
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone (CID 139677549) is 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone is COc1ccc(CN)cc1OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone?
The InChIKey is OVGZINKMRMACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-8-7-19(15-23)14-21(20)27-16-22(25)24-11-9-18(10-12-24)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16,23H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone?
2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone has a molecular weight of 368.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone is sourced from PubChem (CID 139677549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).