2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone

C21H32N2O2 — CID 45143493

IUPAC2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCCCC2CCN2CCCCC2)c1
InChIInChI=1S/C21H32N2O2/c1-18-8-7-10-20(16-18)25-17-21(24)23-14-6-3-9-19(23)11-15-22-12-4-2-5-13-22/h7-8,10,16,19H,2-6,9,11-15,17H2,1H3
InChIKeyJKQUEJDMJCQDTH-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.63
Rot. Bonds6

About 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone

2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 45143493) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID45143493
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCCCC2CCN2CCCCC2)c1
InChIInChI=1S/C21H32N2O2/c1-18-8-7-10-20(16-18)25-17-21(24)23-14-6-3-9-19(23)11-15-22-12-4-2-5-13-22/h7-8,10,16,19H,2-6,9,11-15,17H2,1H3
InChIKeyJKQUEJDMJCQDTH-UHFFFAOYSA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
2-(4-chlorophenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985039
2-(3-methylphenoxy)-1-[3-(piperidin-1-ylmethyl)-1,4-thiazepan-4-yl]ethanone
CID 90568848
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 26819196
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985380

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (CID 45143493) is 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCCCC2CCN2CCCCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is JKQUEJDMJCQDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18-8-7-10-20(16-18)25-17-21(24)23-14-6-3-9-19(23)11-15-22-12-4-2-5-13-22/h7-8,10,16,19H,2-6,9,11-15,17H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 45143493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).