1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine

C19H23ClN2O — CID 605159

IUPAC1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN2O/c1-16-5-2-3-8-19(16)22-11-9-21(10-12-22)13-14-23-18-7-4-6-17(20)15-18/h2-8,15H,9-14H2,1H3
InChIKeySIDCYYAODNDMQE-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine

1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine (PubChem CID 605159) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine
PubChem CID605159
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN2O/c1-16-5-2-3-8-19(16)22-11-9-21(10-12-22)13-14-23-18-7-4-6-17(20)15-18/h2-8,15H,9-14H2,1H3
InChIKeySIDCYYAODNDMQE-UHFFFAOYSA-N
XLogP3.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
Teroxalene Hydrochloride
CID 19704
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263305
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
Teroxalene
CID 19705
1-[1-(2-Chloro-6-methylphenoxy)-2-ethoxyethyl]-4-(2-methoxyphenyl)piperazine
CID 168299277
(4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
CID 269707
1-(4-Chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
CID 10737150
1-(2-Methoxyphenyl)-4-(3-phenylpropyl)piperazine
CID 3829509
1-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 18986902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine (CID 605159) is 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(CCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine?
The InChIKey is SIDCYYAODNDMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-16-5-2-3-8-19(16)22-11-9-21(10-12-22)13-14-23-18-7-4-6-17(20)15-18/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine?
1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine has a molecular weight of 330.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 605159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).