(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

C16H23NO2 — CID 115276502

IUPAC(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(O)C(C)(C)C2)c1
InChIInChI=1S/C16H23NO2/c1-11-5-6-12(2)13(9-11)15(19)17-8-7-14(18)16(3,4)10-17/h5-6,9,14,18H,7-8,10H2,1-4H3
InChIKeyLAKCYXVGBCKRHD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds1

About (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 115276502) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
PubChem CID115276502
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(O)C(C)(C)C2)c1
InChIInChI=1S/C16H23NO2/c1-11-5-6-12(2)13(9-11)15(19)17-8-7-14(18)16(3,4)10-17/h5-6,9,14,18H,7-8,10H2,1-4H3
InChIKeyLAKCYXVGBCKRHD-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (CID 115276502) is (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCC(O)C(C)(C)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is LAKCYXVGBCKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-6-12(2)13(9-11)15(19)17-8-7-14(18)16(3,4)10-17/h5-6,9,14,18H,7-8,10H2,1-4H3.
What are the key properties of (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115276502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).