1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine

C23H30Cl2N2O3 — CID 142979722

IUPAC1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine
SMILESCOc1ccc(OC(C)CC(C)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C23H30Cl2N2O3/c1-16(14-17(2)30-18-8-9-21(28-3)22(15-18)29-4)26-10-12-27(13-11-26)20-7-5-6-19(24)23(20)25/h5-9,15-17H,10-14H2,1-4H3
InChIKeyUGFPMHCKYZVAHE-UHFFFAOYSA-N
MW453.41 g/mol
LogP5.38
Rot. Bonds8

About 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine

1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine (PubChem CID 142979722) has the molecular formula C23H30Cl2N2O3 and a molecular weight of 453.41 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine
PubChem CID142979722
Molecular FormulaC23H30Cl2N2O3
Molecular Weight453.41 g/mol
Exact Mass452.16
IUPAC Name1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine
SMILESCOc1ccc(OC(C)CC(C)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C23H30Cl2N2O3/c1-16(14-17(2)30-18-8-9-21(28-3)22(15-18)29-4)26-10-12-27(13-11-26)20-7-5-6-19(24)23(20)25/h5-9,15-17H,10-14H2,1-4H3
InChIKeyUGFPMHCKYZVAHE-UHFFFAOYSA-N
XLogP5.38
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
[4-[[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl-methylamino]methyl]-3-methoxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 44530181
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 58899964
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
N-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-3,4,5-trimethoxybenzamide
CID 58899971
[4-(3-carbamoylphenyl)-3-methoxyphenyl] N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
CID 90467587
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 113076732
1-(2,3-dichlorophenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine;hydrochloride
CID 141087087
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine (CID 142979722) is 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine is COc1ccc(OC(C)CC(C)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine?
The InChIKey is UGFPMHCKYZVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O3/c1-16(14-17(2)30-18-8-9-21(28-3)22(15-18)29-4)26-10-12-27(13-11-26)20-7-5-6-19(24)23(20)25/h5-9,15-17H,10-14H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine?
1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine has a molecular weight of 453.41 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-[4-(3,4-dimethoxyphenoxy)pentan-2-yl]piperazine is sourced from PubChem (CID 142979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).