N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine

C25H29FN4 — CID 11668565

IUPACN-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine
SMILESFc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-14-27-25-13-12-22(20-28-25)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H,27,28)
InChIKeyAUOXZICNYGBVPT-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.90
Rot. Bonds8

About N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine

N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine (PubChem CID 11668565) has the molecular formula C25H29FN4 and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine
PubChem CID11668565
Molecular FormulaC25H29FN4
Molecular Weight404.53 g/mol
Exact Mass404.24
IUPAC NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine
SMILESFc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-14-27-25-13-12-22(20-28-25)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H,27,28)
InChIKeyAUOXZICNYGBVPT-UHFFFAOYSA-N
XLogP4.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine?
The IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine (CID 11668565) is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine?
The canonical SMILES for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine is Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1.
What is the InChIKey of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine?
The InChIKey is AUOXZICNYGBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-14-27-25-13-12-22(20-28-25)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H,27,28).
What are the key properties of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine?
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine has a molecular weight of 404.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine is sourced from PubChem (CID 11668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).