1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride

C16H25Cl5N2 — CID 171308316

IUPAC1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23Cl3N2.2ClH/c1-2-3-4-5-15(21-8-6-20-7-9-21)13-10-12(17)11-14(18)16(13)19;;/h10-11,15,20H,2-9H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyDCYJAQCGCSIBPL-QCUBGVIVSA-N
MW422.66 g/mol
LogP6.02
Rot. Bonds6

About 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308316) has the molecular formula C16H25Cl5N2 and a molecular weight of 422.66 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308316
Molecular FormulaC16H25Cl5N2
Molecular Weight422.66 g/mol
Exact Mass420.05
IUPAC Name1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23Cl3N2.2ClH/c1-2-3-4-5-15(21-8-6-20-7-9-21)13-10-12(17)11-14(18)16(13)19;;/h10-11,15,20H,2-9H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyDCYJAQCGCSIBPL-QCUBGVIVSA-N
XLogP6.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309614
(3R)-3-piperazin-1-yl-3-(2,3,5-trichlorophenyl)propan-1-ol;hydrochloride
CID 171189293
1-[(1S)-4-methyl-1-(2,3,5-trichlorophenyl)pentyl]piperazine
CID 171310469
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
CID 171182779
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride (CID 171308316) is 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is DCYJAQCGCSIBPL-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H23Cl3N2.2ClH/c1-2-3-4-5-15(21-8-6-20-7-9-21)13-10-12(17)11-14(18)16(13)19;;/h10-11,15,20H,2-9H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 422.66 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).