1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine

C19H22Cl2N2O — CID 4037248

IUPAC1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)c1
InChIInChI=1S/C19H22Cl2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)15-6-7-17(20)18(21)13-15/h3-7,12-13,19,22H,2,8-11H2,1H3
InChIKeyFUZCUSMDPOAULX-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.39
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine

1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine (PubChem CID 4037248) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
PubChem CID4037248
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)c1
InChIInChI=1S/C19H22Cl2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)15-6-7-17(20)18(21)13-15/h3-7,12-13,19,22H,2,8-11H2,1H3
InChIKeyFUZCUSMDPOAULX-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5216730
1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3831792
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4598691
1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3938650
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[1,3-benzodioxol-5-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3832556
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine (CID 4037248) is 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine is CCOc1cccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The InChIKey is FUZCUSMDPOAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)15-6-7-17(20)18(21)13-15/h3-7,12-13,19,22H,2,8-11H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine has a molecular weight of 365.30 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4037248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).