N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine

C24H25ClF2N4 — CID 19030667

IUPACN-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESFc1ccc(C(NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25ClF2N4/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/h1-11,24,28H,12-17H2
InChIKeyJZONFHMPZMSZHA-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.51
Rot. Bonds7

About N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine

N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine (PubChem CID 19030667) has the molecular formula C24H25ClF2N4 and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
PubChem CID19030667
Molecular FormulaC24H25ClF2N4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC NameN-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESFc1ccc(C(NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25ClF2N4/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/h1-11,24,28H,12-17H2
InChIKeyJZONFHMPZMSZHA-UHFFFAOYSA-N
XLogP4.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine (CID 19030667) is N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine is Fc1ccc(C(NCCN2CCN(c3cccc(Cl)n3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The InChIKey is JZONFHMPZMSZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4/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/h1-11,24,28H,12-17H2.
What are the key properties of N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine has a molecular weight of 442.94 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 19030667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).