1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone

C17H20N2O2 — CID 123847474

IUPAC1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-8-6-18(7-9-19)12-14-2-3-16-11-17(21)5-4-15(16)10-14/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyPVZIFCDCYGXLLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds2

About 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 123847474) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID123847474
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3cc(O)ccc3c2)CC1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-8-6-18(7-9-19)12-14-2-3-16-11-17(21)5-4-15(16)10-14/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyPVZIFCDCYGXLLN-UHFFFAOYSA-N
XLogP2.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
1-[4-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 176777487
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-[4-[(3-amino-4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004147
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
CID 77078615
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone (CID 123847474) is 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc3cc(O)ccc3c2)CC1.
What is the InChIKey of 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is PVZIFCDCYGXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)19-8-6-18(7-9-19)12-14-2-3-16-11-17(21)5-4-15(16)10-14/h2-5,10-11,21H,6-9,12H2,1H3.
What are the key properties of 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123847474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).