1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone

C16H24N2O2 — CID 119380301

IUPAC1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-5-7-15(8-6-13)20-11-16(19)18-9-3-4-14(17)10-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeyVDIHBTUITAUOQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone

1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 119380301) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID119380301
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)13-5-7-15(8-6-13)20-11-16(19)18-9-3-4-14(17)10-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeyVDIHBTUITAUOQA-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119378198
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
CID 119380064
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119395608

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone (CID 119380301) is 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone is CC(C)c1ccc(OCC(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is VDIHBTUITAUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)13-5-7-15(8-6-13)20-11-16(19)18-9-3-4-14(17)10-18/h5-8,12,14H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 119380301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).