3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol

C24H28N2O — CID 59570701

IUPAC3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O/c27-24(23-11-10-21-8-4-5-9-22(21)18-23)12-13-25-14-16-26(17-15-25)19-20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2
InChIKeyLVJMCCQSYUPJIH-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.08
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol

3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570701) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570701
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O/c27-24(23-11-10-21-8-4-5-9-22(21)18-23)12-13-25-14-16-26(17-15-25)19-20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2
InChIKeyLVJMCCQSYUPJIH-UHFFFAOYSA-N
XLogP4.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol (CID 59570701) is 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol is OC(CCN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is LVJMCCQSYUPJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c27-24(23-11-10-21-8-4-5-9-22(21)18-23)12-13-25-14-16-26(17-15-25)19-20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol?
3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 360.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).