1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone

C15H21NO — CID 66696378

IUPAC1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone
SMILESCc1ccccc1C(=O)CC1(C)CCNCC1
InChIInChI=1S/C15H21NO/c1-12-5-3-4-6-13(12)14(17)11-15(2)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3
InChIKeyMQYRUZKGHYFRCM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone

1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone (PubChem CID 66696378) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone
PubChem CID66696378
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone
SMILESCc1ccccc1C(=O)CC1(C)CCNCC1
InChIInChI=1S/C15H21NO/c1-12-5-3-4-6-13(12)14(17)11-15(2)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3
InChIKeyMQYRUZKGHYFRCM-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
CID 82289312
(3,5-dimethyl-1-adamantyl)-(2-methylphenyl)methanone
CID 79995881
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
3-(2-methylphenyl)-3-oxopropanal
CID 15648082
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone (CID 66696378) is 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone is Cc1ccccc1C(=O)CC1(C)CCNCC1.
What is the InChIKey of 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is MQYRUZKGHYFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-3-4-6-13(12)14(17)11-15(2)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone?
1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 66696378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).