[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol

C20H27N3O — CID 90656690

IUPAC[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol
SMILESOCc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O/c24-17-18-6-4-7-19(16-18)21-10-5-11-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-4,6-9,16,21,24H,5,10-15,17H2
InChIKeyDFCMYZBVRKOZLA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.80
Rot. Bonds7

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

[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol (PubChem CID 90656690) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol
PubChem CID90656690
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol
SMILESOCc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H27N3O/c24-17-18-6-4-7-19(16-18)21-10-5-11-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-4,6-9,16,21,24H,5,10-15,17H2
InChIKeyDFCMYZBVRKOZLA-UHFFFAOYSA-N
XLogP2.80
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.80
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]phenyl]methanol?
The IUPAC name of [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol (CID 90656690) is [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol.
What is the SMILES notation for [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol?
The canonical SMILES for [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol is OCc1cccc(NCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol?
The InChIKey is DFCMYZBVRKOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-17-18-6-4-7-19(16-18)21-10-5-11-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-4,6-9,16,21,24H,5,10-15,17H2.
What are the key properties of [3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol?
[3-[3-(4-phenylpiperazin-1-yl)propylamino]phenyl]methanol has a molecular weight of 325.46 g/mol, XLogP of 2.80, 7 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]phenyl]methanol is sourced from PubChem (CID 90656690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).