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

C15H21NO2 — CID 115269399

IUPAC(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-6-12(7-5-11)14(18)16-10-13(17)8-9-15(16,2)3/h4-7,13,17H,8-10H2,1-3H3
InChIKeyUEOPFRNSLSKSGX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds1

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

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone (PubChem CID 115269399) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
PubChem CID115269399
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-6-12(7-5-11)14(18)16-10-13(17)8-9-15(16,2)3/h4-7,13,17H,8-10H2,1-3H3
InChIKeyUEOPFRNSLSKSGX-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
(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-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 82248021
(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276203
(2,2-dimethylpyrrolidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111538030
(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 115276339
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115276218
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
(1S,3R,6R,7S)-6,7-dimethyl-4-(4-methylbenzoyl)-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 23308234

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone (CID 115269399) is (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(O)CCC2(C)C)cc1.
What is the InChIKey of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is UEOPFRNSLSKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-6-12(7-5-11)14(18)16-10-13(17)8-9-15(16,2)3/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 115269399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).