1-[1-(2,4-dichlorophenyl)pentyl]piperazine

C15H22Cl2N2 — CID 5226884

IUPAC1-[1-(2,4-dichlorophenyl)pentyl]piperazine
SMILESCCCCC(c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(16)11-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3
InChIKeyZBNKQENJYIDYKB-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.13
Rot. Bonds5

About 1-[1-(2,4-dichlorophenyl)pentyl]piperazine

1-[1-(2,4-dichlorophenyl)pentyl]piperazine (PubChem CID 5226884) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)pentyl]piperazine
PubChem CID5226884
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[1-(2,4-dichlorophenyl)pentyl]piperazine
SMILESCCCCC(c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(16)11-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3
InChIKeyZBNKQENJYIDYKB-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
CID 171308229
3-chloro-N,N-dimethyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline
CID 171309527
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171165361
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309256
1-[(1S)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309614
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)pentyl]piperazine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)pentyl]piperazine (CID 5226884) is 1-[1-(2,4-dichlorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)pentyl]piperazine is CCCCC(c1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)pentyl]piperazine?
The InChIKey is ZBNKQENJYIDYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(16)11-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)pentyl]piperazine?
1-[1-(2,4-dichlorophenyl)pentyl]piperazine has a molecular weight of 301.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)pentyl]piperazine is sourced from PubChem (CID 5226884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).