1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride

C15H25Cl4N3 — CID 171310090

IUPAC1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23Cl2N3.2ClH/c1-11(2)3-5-13(20-9-7-18-8-10-20)12-4-6-14(16)19-15(12)17;;/h4,6,11,13,18H,3,5,7-10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyHYAOUQROXRAVDQ-GXKRWWSZSA-N
MW389.20 g/mol
LogP4.61
Rot. Bonds5

About 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171310090) has the molecular formula C15H25Cl4N3 and a molecular weight of 389.20 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171310090
Molecular FormulaC15H25Cl4N3
Molecular Weight389.20 g/mol
Exact Mass387.08
IUPAC Name1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23Cl2N3.2ClH/c1-11(2)3-5-13(20-9-7-18-8-10-20)12-4-6-14(16)19-15(12)17;;/h4,6,11,13,18H,3,5,7-10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyHYAOUQROXRAVDQ-GXKRWWSZSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 54.61
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-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131439638
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131381916
2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline
CID 171311279
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
CID 171289222

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171310090) is 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride is CC(C)CC[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is HYAOUQROXRAVDQ-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H23Cl2N3.2ClH/c1-11(2)3-5-13(20-9-7-18-8-10-20)12-4-6-14(16)19-15(12)17;;/h4,6,11,13,18H,3,5,7-10H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 389.20 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171310090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).