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

C17H25NO2 — CID 78967459

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-8-10-18(11-9-14)16(20)12-13-6-4-5-7-15(13)19/h4-7,14,19H,8-12H2,1-3H3
InChIKeyFFZLFHGLKSABFR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds2

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

1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 78967459) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID78967459
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCC(C)(C)C1CCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-8-10-18(11-9-14)16(20)12-13-6-4-5-7-15(13)19/h4-7,14,19H,8-12H2,1-3H3
InChIKeyFFZLFHGLKSABFR-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-tert-butylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601774
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 78967459) is 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone is CC(C)(C)C1CCN(C(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is FFZLFHGLKSABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)14-8-10-18(11-9-14)16(20)12-13-6-4-5-7-15(13)19/h4-7,14,19H,8-12H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 78967459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).