1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone

C17H26N2O2 — CID 92922616

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-6-4-5-7-15(14)21-12-16(20)19-10-8-13(18)9-11-19/h4-7,13H,8-12,18H2,1-3H3
InChIKeyLILWEZAVVMTHJG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone

1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone (PubChem CID 92922616) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
PubChem CID92922616
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-6-4-5-7-15(14)21-12-16(20)19-10-8-13(18)9-11-19/h4-7,13H,8-12,18H2,1-3H3
InChIKeyLILWEZAVVMTHJG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 31059122
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 54852543
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 24658602
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2-tert-butylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78806147
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
(3S,4S)-1-[2-(2-tert-butylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxamide
CID 128984117
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
CID 70878278

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone (CID 92922616) is 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone is CC(C)(C)c1ccccc1OCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The InChIKey is LILWEZAVVMTHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)14-6-4-5-7-15(14)21-12-16(20)19-10-8-13(18)9-11-19/h4-7,13H,8-12,18H2,1-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.31, 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-tert-butylphenoxy)ethanone is sourced from PubChem (CID 92922616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).