2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride

C18H20Cl2N2O2 — CID 119401188

IUPAC2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCNCC1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-16-12-15(14-4-2-1-3-5-14)6-7-17(16)23-13-18(22)21-10-8-20-9-11-21;/h1-7,12,20H,8-11,13H2;1H
InChIKeyLSCCDMHWFXSKFS-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride

2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119401188) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119401188
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCNCC1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-16-12-15(14-4-2-1-3-5-14)6-7-17(16)23-13-18(22)21-10-8-20-9-11-21;/h1-7,12,20H,8-11,13H2;1H
InChIKeyLSCCDMHWFXSKFS-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119178255
2-(2-chloro-4-phenylphenoxy)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 17436000
2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645425
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-phenylphenoxy)ethanone
CID 124611392
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
2-(2-chloro-4-phenylphenoxy)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7653209
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride (CID 119401188) is 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is LSCCDMHWFXSKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c19-16-12-15(14-4-2-1-3-5-14)6-7-17(16)23-13-18(22)21-10-8-20-9-11-21;/h1-7,12,20H,8-11,13H2;1H.
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119401188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).