(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23NO2 — CID 62373006

IUPAC(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CCO)C2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-5-6-15(13(2)10-12)16(19)17-8-3-4-14(11-17)7-9-18/h5-6,10,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyQZEWYKRAKCLYTD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds3

About (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62373006) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62373006
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CCO)C2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-5-6-15(13(2)10-12)16(19)17-8-3-4-14(11-17)7-9-18/h5-6,10,14,18H,3-4,7-9,11H2,1-2H3
InChIKeyQZEWYKRAKCLYTD-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65463040
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62373006) is (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(CCO)C2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is QZEWYKRAKCLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-6-15(13(2)10-12)16(19)17-8-3-4-14(11-17)7-9-18/h5-6,10,14,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62373006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).