1-(2,3-dichlorophenyl)-4-hexylpiperazine

C16H24Cl2N2 — CID 155107965

IUPAC1-(2,3-dichlorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-2-3-4-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17)16(15)18/h6-8H,2-5,9-13H2,1H3
InChIKeyKJCASLADYXZEDF-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.70
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-4-hexylpiperazine

1-(2,3-dichlorophenyl)-4-hexylpiperazine (PubChem CID 155107965) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-hexylpiperazine
PubChem CID155107965
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-(2,3-dichlorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H24Cl2N2/c1-2-3-4-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17)16(15)18/h6-8H,2-5,9-13H2,1H3
InChIKeyKJCASLADYXZEDF-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl tetradecyl carbonate
CID 118410646
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl] dodecanoate
CID 166059463
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135448
1-[2-(bromomethyl)-3-chlorophenyl]-4-propylpiperazine
CID 107079569

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-hexylpiperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-hexylpiperazine (CID 155107965) is 1-(2,3-dichlorophenyl)-4-hexylpiperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-hexylpiperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-hexylpiperazine is CCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-hexylpiperazine?
The InChIKey is KJCASLADYXZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-2-3-4-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17)16(15)18/h6-8H,2-5,9-13H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-hexylpiperazine?
1-(2,3-dichlorophenyl)-4-hexylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-hexylpiperazine is sourced from PubChem (CID 155107965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).