1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine

C16H17ClFN3 — CID 11630891

IUPAC1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccc(F)cc3)cc(Cl)n2)CC1
InChIInChI=1S/C16H17ClFN3/c1-20-6-8-21(9-7-20)16-11-13(10-15(17)19-16)12-2-4-14(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyBSYJKWUVDLVHOZ-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.29
Rot. Bonds2

About 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine

1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine (PubChem CID 11630891) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine
PubChem CID11630891
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccc(F)cc3)cc(Cl)n2)CC1
InChIInChI=1S/C16H17ClFN3/c1-20-6-8-21(9-7-20)16-11-13(10-15(17)19-16)12-2-4-14(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyBSYJKWUVDLVHOZ-UHFFFAOYSA-N
XLogP3.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine (CID 11630891) is 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine is CN1CCN(c2cc(-c3ccc(F)cc3)cc(Cl)n2)CC1.
What is the InChIKey of 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine?
The InChIKey is BSYJKWUVDLVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-20-6-8-21(9-7-20)16-11-13(10-15(17)19-16)12-2-4-14(18)5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine?
1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine has a molecular weight of 305.78 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(4-fluorophenyl)-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 11630891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).