2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone

C17H26N2O2 — CID 63157389

IUPAC2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2)9-11-19(12-10-17)16(20)13-21-15-7-5-14(18)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyXJSQTCJCJWLRCE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone

2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone (PubChem CID 63157389) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
PubChem CID63157389
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2)9-11-19(12-10-17)16(20)13-21-15-7-5-14(18)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyXJSQTCJCJWLRCE-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
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

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(4-aminophenoxy)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418710
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-aminophenoxy)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 61114349
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62205697
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
4-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 62931802

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone (CID 63157389) is 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone is CCC1(CC)CCN(C(=O)COc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The InChIKey is XJSQTCJCJWLRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(4-2)9-11-19(12-10-17)16(20)13-21-15-7-5-14(18)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone?
2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63157389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).