2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride

C21H32Cl2N2O3 — CID 52985380

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCc1cc(OCC(=O)N2CCCCC2CCN2CCOCC2)cc(C)c1Cl.Cl
InChIInChI=1S/C21H31ClN2O3.ClH/c1-16-13-19(14-17(2)21(16)22)27-15-20(25)24-7-4-3-5-18(24)6-8-23-9-11-26-12-10-23;/h13-14,18H,3-12,15H2,1-2H3;1H
InChIKeyISIWTQUIOIJUGD-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.86
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride

2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 52985380) has the molecular formula C21H32Cl2N2O3 and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID52985380
Molecular FormulaC21H32Cl2N2O3
Molecular Weight431.40 g/mol
Exact Mass430.18
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCc1cc(OCC(=O)N2CCCCC2CCN2CCOCC2)cc(C)c1Cl.Cl
InChIInChI=1S/C21H31ClN2O3.ClH/c1-16-13-19(14-17(2)21(16)22)27-15-20(25)24-7-4-3-5-18(24)6-8-23-9-11-26-12-10-23;/h13-14,18H,3-12,15H2,1-2H3;1H
InChIKeyISIWTQUIOIJUGD-UHFFFAOYSA-N
XLogP3.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 26819196
2-(4-chlorophenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985039
2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741845
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614
3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70752772
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride (CID 52985380) is 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride is Cc1cc(OCC(=O)N2CCCCC2CCN2CCOCC2)cc(C)c1Cl.Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is ISIWTQUIOIJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3.ClH/c1-16-13-19(14-17(2)21(16)22)27-15-20(25)24-7-4-3-5-18(24)6-8-23-9-11-26-12-10-23;/h13-14,18H,3-12,15H2,1-2H3;1H.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride?
2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 431.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 52985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).