2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone

C18H27NO3 — CID 97018683

IUPAC2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
SMILESCC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C18H27NO3/c1-14(2)22-12-10-16-8-5-6-11-19(16)18(21)13-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,20H,5-6,8,10-13H2,1-2H3/t16-/m1/s1
InChIKeyIGDTYEQNXZKETR-MRXNPFEDSA-N
MW305.42 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone

2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 97018683) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID97018683
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
SMILESCC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C18H27NO3/c1-14(2)22-12-10-16-8-5-6-11-19(16)18(21)13-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,20H,5-6,8,10-13H2,1-2H3/t16-/m1/s1
InChIKeyIGDTYEQNXZKETR-MRXNPFEDSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740437
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 60742305
2-(1-hydroxycyclopentyl)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 71984280
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
CID 96568845
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-[2-(2,2-diphenylethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 22909573
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone (CID 97018683) is 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone is CC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IGDTYEQNXZKETR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)22-12-10-16-8-5-6-11-19(16)18(21)13-15-7-3-4-9-17(15)20/h3-4,7,9,14,16,20H,5-6,8,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone?
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).