3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol

C19H25N3O — CID 90656682

IUPAC3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol
SMILESOc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O/c23-19-9-4-6-17(16-19)20-10-5-11-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-4,6-9,16,20,23H,5,10-15H2
InChIKeyQEPJEWZSJOXGTE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds6

About 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol

3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol (PubChem CID 90656682) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol.

Molecular Properties

Compound Name3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol
PubChem CID90656682
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol
SMILESOc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O/c23-19-9-4-6-17(16-19)20-10-5-11-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-4,6-9,16,20,23H,5,10-15H2
InChIKeyQEPJEWZSJOXGTE-UHFFFAOYSA-N
XLogP3.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
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 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol?
The IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol (CID 90656682) is 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol.
What is the SMILES notation for 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol?
The canonical SMILES for 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol is Oc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol?
The InChIKey is QEPJEWZSJOXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19-9-4-6-17(16-19)20-10-5-11-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-4,6-9,16,20,23H,5,10-15H2.
What are the key properties of 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol?
3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylpiperazin-1-yl)propylamino]phenol is sourced from PubChem (CID 90656682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).