3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one

C23H24N2O2 — CID 10689888

IUPAC3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c26-22(20-10-9-18-5-1-2-6-19(18)17-20)11-12-24-13-15-25(16-14-24)21-7-3-4-8-23(21)27/h1-10,17,27H,11-16H2
InChIKeyUNMXNUUYLCZEGC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.94
Rot. Bonds5

About 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one

3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one (PubChem CID 10689888) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
PubChem CID10689888
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c26-22(20-10-9-18-5-1-2-6-19(18)17-20)11-12-24-13-15-25(16-14-24)21-7-3-4-8-23(21)27/h1-10,17,27H,11-16H2
InChIKeyUNMXNUUYLCZEGC-UHFFFAOYSA-N
XLogP3.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one (CID 10689888) is 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one is O=C(CCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is UNMXNUUYLCZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(20-10-9-18-5-1-2-6-19(18)17-20)11-12-24-13-15-25(16-14-24)21-7-3-4-8-23(21)27/h1-10,17,27H,11-16H2.
What are the key properties of 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 10689888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).