1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol

C22H24N2O — CID 680550

IUPAC1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-22-11-10-19-8-4-5-9-20(19)21(22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-11,25H,12-17H2
InChIKeyIORFJSWONDTTNA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.86
Rot. Bonds4

About 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol

1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol (PubChem CID 680550) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol
PubChem CID680550
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-22-11-10-19-8-4-5-9-20(19)21(22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-11,25H,12-17H2
InChIKeyIORFJSWONDTTNA-UHFFFAOYSA-N
XLogP3.86
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol (CID 680550) is 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is IORFJSWONDTTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22-11-10-19-8-4-5-9-20(19)21(22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-11,25H,12-17H2.
What are the key properties of 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol?
1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 332.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperazin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 680550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).