1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone

C15H21NO — CID 43794417

IUPAC1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(C(=O)CN2CCCCC2C)c1
InChIInChI=1S/C15H21NO/c1-12-6-5-8-14(10-12)15(17)11-16-9-4-3-7-13(16)2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3
InChIKeyBVMZXYXFAVEXML-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone

1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43794417) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID43794417
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(C(=O)CN2CCCCC2C)c1
InChIInChI=1S/C15H21NO/c1-12-6-5-8-14(10-12)15(17)11-16-9-4-3-7-13(16)2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3
InChIKeyBVMZXYXFAVEXML-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone
CID 43796502
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone (CID 43794417) is 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone is Cc1cccc(C(=O)CN2CCCCC2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is BVMZXYXFAVEXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-6-5-8-14(10-12)15(17)11-16-9-4-3-7-13(16)2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43794417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).