5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid

C14H19Cl2N3O2 — CID 99820439

IUPAC5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O2/c15-11-9-12(16)14(17-10-11)19-7-5-18(6-8-19)4-2-1-3-13(20)21/h9-10H,1-8H2,(H,20,21)
InChIKeyIGEHXPSUYSTGPV-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.77
Rot. Bonds6

About 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid

5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid (PubChem CID 99820439) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
PubChem CID99820439
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O2/c15-11-9-12(16)14(17-10-11)19-7-5-18(6-8-19)4-2-1-3-13(20)21/h9-10H,1-8H2,(H,20,21)
InChIKeyIGEHXPSUYSTGPV-UHFFFAOYSA-N
XLogP2.77
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 43592266
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-(2,4-dichlorophenoxy)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 55808389
2-[[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906280
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
7-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55433843
3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 60871429
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid (CID 99820439) is 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid is O=C(O)CCCCN1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid?
The InChIKey is IGEHXPSUYSTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c15-11-9-12(16)14(17-10-11)19-7-5-18(6-8-19)4-2-1-3-13(20)21/h9-10H,1-8H2,(H,20,21).
What are the key properties of 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid?
5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid has a molecular weight of 332.23 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 99820439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).