1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride

C13H21Cl4N3 — CID 171289236

IUPAC1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19Cl2N3.2ClH/c1-2-3-11(18-8-6-16-7-9-18)10-4-5-12(14)17-13(10)15;;/h4-5,11,16H,2-3,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyIAPDQXOHROOGQR-NVJADKKVSA-N
MW361.14 g/mol
LogP3.98
Rot. Bonds4

About 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride (PubChem CID 171289236) has the molecular formula C13H21Cl4N3 and a molecular weight of 361.14 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
PubChem CID171289236
Molecular FormulaC13H21Cl4N3
Molecular Weight361.14 g/mol
Exact Mass359.05
IUPAC Name1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19Cl2N3.2ClH/c1-2-3-11(18-8-6-16-7-9-18)10-4-5-12(14)17-13(10)15;;/h4-5,11,16H,2-3,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyIAPDQXOHROOGQR-NVJADKKVSA-N
XLogP3.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310090
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131439638
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131381916
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
2-bromo-3-chloro-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300783
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171287499
1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
CID 171285648
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1S)-1-(2-bromo-4-methylphenyl)butyl]piperazine
CID 171275500
1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride (CID 171289236) is 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride?
The InChIKey is IAPDQXOHROOGQR-NVJADKKVSA-N. The full InChI is InChI=1S/C13H19Cl2N3.2ClH/c1-2-3-11(18-8-6-16-7-9-18)10-4-5-12(14)17-13(10)15;;/h4-5,11,16H,2-3,6-9H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride has a molecular weight of 361.14 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).