(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C15H21NO2 — CID 43421573

IUPAC(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2CO)c(C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-7-14(12(2)9-11)15(18)16-8-4-3-5-13(16)10-17/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyIWJQSKDEAPGYBR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds2

About (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421573) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421573
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2CO)c(C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-7-14(12(2)9-11)15(18)16-8-4-3-5-13(16)10-17/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyIWJQSKDEAPGYBR-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956210
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80658369
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79807562

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421573) is (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCCC2CO)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is IWJQSKDEAPGYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-7-14(12(2)9-11)15(18)16-8-4-3-5-13(16)10-17/h6-7,9,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).