1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone

C17H26N2O2 — CID 119379721

IUPAC1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-8-4-5-9-15(14)21-12-16(20)19-10-6-7-13(18)11-19/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3
InChIKeyPVQNKDKNKAWFID-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone

1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone (PubChem CID 119379721) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
PubChem CID119379721
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)14-8-4-5-9-15(14)21-12-16(20)19-10-6-7-13(18)11-19/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3
InChIKeyPVQNKDKNKAWFID-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

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 92922616
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-[3-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119493476
(3S,4S)-1-[2-(2-tert-butylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxamide
CID 128984117
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone (CID 119379721) is 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone is CC(C)(C)c1ccccc1OCC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
The InChIKey is PVQNKDKNKAWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)14-8-4-5-9-15(14)21-12-16(20)19-10-6-7-13(18)11-19/h4-5,8-9,13H,6-7,10-12,18H2,1-3H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone?
1-(3-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-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone is sourced from PubChem (CID 119379721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).