1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone

C17H25NO2 — CID 82353208

IUPAC1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
SMILESCc1ccc(C(=O)COCCC2CCCCN2)cc1C
InChIInChI=1S/C17H25NO2/c1-13-6-7-15(11-14(13)2)17(19)12-20-10-8-16-5-3-4-9-18-16/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3
InChIKeyONLWHKGTNZRFSG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.03
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone

1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone (PubChem CID 82353208) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
PubChem CID82353208
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
SMILESCc1ccc(C(=O)COCCC2CCCCN2)cc1C
InChIInChI=1S/C17H25NO2/c1-13-6-7-15(11-14(13)2)17(19)12-20-10-8-16-5-3-4-9-18-16/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3
InChIKeyONLWHKGTNZRFSG-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
3-methoxy-N,4-dimethyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187175
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate
CID 71057140
N-(4-fluorophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
CID 62343782
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone (CID 82353208) is 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone is Cc1ccc(C(=O)COCCC2CCCCN2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone?
The InChIKey is ONLWHKGTNZRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-15(11-14(13)2)17(19)12-20-10-8-16-5-3-4-9-18-16/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone?
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.03, 6 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-(2-piperidin-2-ylethoxy)ethanone is sourced from PubChem (CID 82353208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).