(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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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).