1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone

C15H22N2O2 — CID 82042517

IUPAC1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-14(12(11)2)19-10-15(18)17-8-6-13(16)7-9-17/h3-5,13H,6-10,16H2,1-2H3
InChIKeyRZIPYBRPOCEMKT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone

1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone (PubChem CID 82042517) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
PubChem CID82042517
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-14(12(11)2)19-10-15(18)17-8-6-13(16)7-9-17/h3-5,13H,6-10,16H2,1-2H3
InChIKeyRZIPYBRPOCEMKT-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185
2-cyano-N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922041
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
CID 108565042

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone (CID 82042517) is 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCC(N)CC2)c1C.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The InChIKey is RZIPYBRPOCEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-14(12(11)2)19-10-15(18)17-8-6-13(16)7-9-17/h3-5,13H,6-10,16H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone is sourced from PubChem (CID 82042517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).