N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline

C24H28N4O — CID 162657344

IUPACN-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline
SMILESc1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-2-5-21(6-3-1)26-22-7-9-24(10-8-22)29-20-4-15-27-16-18-28(19-17-27)23-11-13-25-14-12-23/h1-3,5-14,26H,4,15-20H2
InChIKeyBFZGIVYVXGFKHW-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.42
Rot. Bonds8

About N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline

N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline (PubChem CID 162657344) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline.

Molecular Properties

Compound NameN-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline
PubChem CID162657344
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline
SMILESc1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-2-5-21(6-3-1)26-22-7-9-24(10-8-22)29-20-4-15-27-16-18-28(19-17-27)23-11-13-25-14-12-23/h1-3,5-14,26H,4,15-20H2
InChIKeyBFZGIVYVXGFKHW-UHFFFAOYSA-N
XLogP4.42
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline?
The IUPAC name of N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline (CID 162657344) is N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline.
What is the SMILES notation for N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline?
The canonical SMILES for N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline is c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1.
What is the InChIKey of N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline?
The InChIKey is BFZGIVYVXGFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-5-21(6-3-1)26-22-7-9-24(10-8-22)29-20-4-15-27-16-18-28(19-17-27)23-11-13-25-14-12-23/h1-3,5-14,26H,4,15-20H2.
What are the key properties of N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline?
N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline has a molecular weight of 388.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline is sourced from PubChem (CID 162657344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).