1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine

C10H12ClF2N3 — CID 141282990

IUPAC1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)c1ccc(N2CCN(Cl)CC2)nc1
InChIInChI=1S/C10H12ClF2N3/c11-16-5-3-15(4-6-16)9-2-1-8(7-14-9)10(12)13/h1-2,7,10H,3-6H2
InChIKeyJKSLKSFUOSACOE-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.30
Rot. Bonds2

About 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine

1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine (PubChem CID 141282990) has the molecular formula C10H12ClF2N3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine
PubChem CID141282990
Molecular FormulaC10H12ClF2N3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)c1ccc(N2CCN(Cl)CC2)nc1
InChIInChI=1S/C10H12ClF2N3/c11-16-5-3-15(4-6-16)9-2-1-8(7-14-9)10(12)13/h1-2,7,10H,3-6H2
InChIKeyJKSLKSFUOSACOE-UHFFFAOYSA-N
XLogP2.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine (CID 141282990) is 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine is FC(F)c1ccc(N2CCN(Cl)CC2)nc1.
What is the InChIKey of 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JKSLKSFUOSACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3/c11-16-5-3-15(4-6-16)9-2-1-8(7-14-9)10(12)13/h1-2,7,10H,3-6H2.
What are the key properties of 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine?
1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 247.68 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 141282990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).