3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol

C24H28N2O2 — CID 10595710

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O2/c1-28-24-9-5-4-8-22(24)26-16-14-25(15-17-26)13-12-23(27)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,23,27H,12-17H2,1H3
InChIKeyXDJFULURKYWPBY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 10595710) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
PubChem CID10595710
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O2/c1-28-24-9-5-4-8-22(24)26-16-14-25(15-17-26)13-12-23(27)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,23,27H,12-17H2,1H3
InChIKeyXDJFULURKYWPBY-UHFFFAOYSA-N
XLogP4.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (CID 10595710) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is XDJFULURKYWPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-24-9-5-4-8-22(24)26-16-14-25(15-17-26)13-12-23(27)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,23,27H,12-17H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 10595710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).