2-(4-benzylpiperazin-1-yl)phenol

C17H20N2O — CID 8529065

IUPAC2-(4-benzylpiperazin-1-yl)phenol
SMILESOc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O/c20-17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9,20H,10-14H2
InChIKeyFPVKDWNGSLXDRY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)phenol

2-(4-benzylpiperazin-1-yl)phenol (PubChem CID 8529065) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)phenol
PubChem CID8529065
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-benzylpiperazin-1-yl)phenol
SMILESOc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O/c20-17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9,20H,10-14H2
InChIKeyFPVKDWNGSLXDRY-UHFFFAOYSA-N
XLogP2.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)phenol?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)phenol (CID 8529065) is 2-(4-benzylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)phenol?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)phenol is Oc1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)phenol?
The InChIKey is FPVKDWNGSLXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9,20H,10-14H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)phenol?
2-(4-benzylpiperazin-1-yl)phenol has a molecular weight of 268.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)phenol is sourced from PubChem (CID 8529065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).