N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine

C24H23ClF2N4 — CID 18348695

IUPACN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23ClF2N4/c25-22-2-1-3-23(29-22)31-16-14-30(15-17-31)13-12-28-24(18-4-8-20(26)9-5-18)19-6-10-21(27)11-7-19/h1-11H,12-17H2
InChIKeyLCJSNTNFGUYILT-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine

N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine (PubChem CID 18348695) has the molecular formula C24H23ClF2N4 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine
PubChem CID18348695
Molecular FormulaC24H23ClF2N4
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23ClF2N4/c25-22-2-1-3-23(29-22)31-16-14-30(15-17-31)13-12-28-24(18-4-8-20(26)9-5-18)19-6-10-21(27)11-7-19/h1-11H,12-17H2
InChIKeyLCJSNTNFGUYILT-UHFFFAOYSA-N
XLogP4.67
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine?
The IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine (CID 18348695) is N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine?
The canonical SMILES for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine is Fc1ccc(C(=NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine?
The InChIKey is LCJSNTNFGUYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4/c25-22-2-1-3-23(29-22)31-16-14-30(15-17-31)13-12-28-24(18-4-8-20(26)9-5-18)19-6-10-21(27)11-7-19/h1-11H,12-17H2.
What are the key properties of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine?
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine has a molecular weight of 440.93 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine is sourced from PubChem (CID 18348695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).