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

C23H25ClN2O — CID 10738599

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25ClN2O/c24-21-7-9-22(10-8-21)26-15-13-25(14-16-26)12-11-23(27)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17,23,27H,11-16H2
InChIKeyQUMFNBUYHPAERD-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.74
Rot. Bonds5

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 10738599) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
PubChem CID10738599
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25ClN2O/c24-21-7-9-22(10-8-21)26-15-13-25(14-16-26)12-11-23(27)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17,23,27H,11-16H2
InChIKeyQUMFNBUYHPAERD-UHFFFAOYSA-N
XLogP4.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (CID 10738599) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is QUMFNBUYHPAERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-21-7-9-22(10-8-21)26-15-13-25(14-16-26)12-11-23(27)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17,23,27H,11-16H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 380.92 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 10738599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).