1-butyl-4-(2,3-dichlorophenyl)piperazine

C14H20Cl2N2 — CID 58358826

IUPAC1-butyl-4-(2,3-dichlorophenyl)piperazine
SMILESCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
InChIKeyGXSJLZZVCQCUTH-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.92
Rot. Bonds4

About 1-butyl-4-(2,3-dichlorophenyl)piperazine

1-butyl-4-(2,3-dichlorophenyl)piperazine (PubChem CID 58358826) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2,3-dichlorophenyl)piperazine
PubChem CID58358826
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-butyl-4-(2,3-dichlorophenyl)piperazine
SMILESCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
InChIKeyGXSJLZZVCQCUTH-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-[2-(bromomethyl)-3-chlorophenyl]-4-propylpiperazine
CID 107079569
1-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-2,3-dihydropyrrole-3-carboxamide
CID 70897852
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dichlorophenyl)piperazine?
The IUPAC name of 1-butyl-4-(2,3-dichlorophenyl)piperazine (CID 58358826) is 1-butyl-4-(2,3-dichlorophenyl)piperazine.
What is the SMILES notation for 1-butyl-4-(2,3-dichlorophenyl)piperazine?
The canonical SMILES for 1-butyl-4-(2,3-dichlorophenyl)piperazine is CCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-butyl-4-(2,3-dichlorophenyl)piperazine?
The InChIKey is GXSJLZZVCQCUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dichlorophenyl)piperazine?
1-butyl-4-(2,3-dichlorophenyl)piperazine has a molecular weight of 287.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dichlorophenyl)piperazine is sourced from PubChem (CID 58358826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).