2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone

C17H26N2O2 — CID 62090187

IUPAC2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-8-10-19(11-9-13)16(20)12-21-15-6-4-14(18)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeySEKJKUFSNSKKJS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone

2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone (PubChem CID 62090187) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
PubChem CID62090187
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-8-10-19(11-9-13)16(20)12-21-15-6-4-14(18)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeySEKJKUFSNSKKJS-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenoxy)ethanone
CID 61102892
2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63157389
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-(4-aminophenoxy)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418710
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
2-(4-aminophenoxy)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 61114349

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone (CID 62090187) is 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone is CC(C)(C)C1CCN(C(=O)COc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone?
The InChIKey is SEKJKUFSNSKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)13-8-10-19(11-9-13)16(20)12-21-15-6-4-14(18)5-7-15/h4-7,13H,8-12,18H2,1-3H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone?
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62090187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).