(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

C16H23NO2 — CID 115276194

IUPAC(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)15(19)17-11-14(18)9-10-16(17,2)3/h5-8,14,18H,4,9-11H2,1-3H3
InChIKeyAQTBTHAQJPXOFR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.62
Rot. Bonds2

About (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (PubChem CID 115276194) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
PubChem CID115276194
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)15(19)17-11-14(18)9-10-16(17,2)3/h5-8,14,18H,4,9-11H2,1-3H3
InChIKeyAQTBTHAQJPXOFR-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115269399
1-(4-ethylbenzoyl)-6,6-dimethylpiperidin-3-one
CID 115276264
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415
(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111538030
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-ethylphenyl)methanone
CID 74881662
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
CID 79066837

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (CID 115276194) is (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is CCc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The InChIKey is AQTBTHAQJPXOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)15(19)17-11-14(18)9-10-16(17,2)3/h5-8,14,18H,4,9-11H2,1-3H3.
What are the key properties of (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115276194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).