1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone

C15H21NO2 — CID 84755326

IUPAC1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone
SMILESCc1ccc(C(=O)COC2CCCNC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)15(17)10-18-14-4-3-7-16-9-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3
InChIKeyTXNAXXBBUVSDGE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone

1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone (PubChem CID 84755326) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone
PubChem CID84755326
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone
SMILESCc1ccc(C(=O)COC2CCCNC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)15(17)10-18-14-4-3-7-16-9-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3
InChIKeyTXNAXXBBUVSDGE-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-piperidin-3-ylsulfanylethanone
CID 84755036
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
[2-(3,4-dimethylphenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 2418966
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
N-(4-methoxyphenyl)-2-piperidin-3-yloxyacetamide
CID 43196810
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone (CID 84755326) is 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone is Cc1ccc(C(=O)COC2CCCNC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone?
The InChIKey is TXNAXXBBUVSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)15(17)10-18-14-4-3-7-16-9-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone?
1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone has a molecular weight of 247.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone is sourced from PubChem (CID 84755326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).