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

C15H21NO2 — CID 115269397

IUPAC(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)14(18)16-10-12(17)8-9-15(16,2)3/h4-7,12,17H,8-10H2,1-3H3
InChIKeyWGIFSXRAVNZQBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds1

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

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone (PubChem CID 115269397) 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)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
PubChem CID115269397
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)14(18)16-10-12(17)8-9-15(16,2)3/h4-7,12,17H,8-10H2,1-3H3
InChIKeyWGIFSXRAVNZQBH-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

(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
CID 110740609
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115276231
(3-amino-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269313
(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275398
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
CID 115275670
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 115269393

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone (CID 115269397) is (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC(O)CCC1(C)C.
What is the InChIKey of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is WGIFSXRAVNZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)14(18)16-10-12(17)8-9-15(16,2)3/h4-7,12,17H,8-10H2,1-3H3.
What are the key properties of (5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone?
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-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)-(2-methylphenyl)methanone is sourced from PubChem (CID 115269397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).