1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine

C14H15ClN4 — CID 133373099

IUPAC1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
SMILESClc1cc(N2CCN(c3ccncc3)CC2)ccn1
InChIInChI=1S/C14H15ClN4/c15-14-11-13(3-6-17-14)19-9-7-18(8-10-19)12-1-4-16-5-2-12/h1-6,11H,7-10H2
InChIKeyBYDMQIZTYSYTOI-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine

1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine (PubChem CID 133373099) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
PubChem CID133373099
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
SMILESClc1cc(N2CCN(c3ccncc3)CC2)ccn1
InChIInChI=1S/C14H15ClN4/c15-14-11-13(3-6-17-14)19-9-7-18(8-10-19)12-1-4-16-5-2-12/h1-6,11H,7-10H2
InChIKeyBYDMQIZTYSYTOI-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-4-(4-methylphenyl)-1,4-diazepane
CID 133359948
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
CID 133373516
1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine
CID 102824186
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 103756719
4-pyrrolidin-1-ylpyridine
CID 158456628
2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
CID 151572783
3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695
1-[2-(chloromethyl)-4-pyridinyl]-4-(4-chlorophenyl)piperazine
CID 61255753

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine (CID 133373099) is 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine is Clc1cc(N2CCN(c3ccncc3)CC2)ccn1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine?
The InChIKey is BYDMQIZTYSYTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-14-11-13(3-6-17-14)19-9-7-18(8-10-19)12-1-4-16-5-2-12/h1-6,11H,7-10H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine?
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine has a molecular weight of 274.75 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 133373099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).