4-(piperazin-1-ylmethyl)naphthalen-1-ol

C15H18N2O — CID 82263156

IUPAC4-(piperazin-1-ylmethyl)naphthalen-1-ol
SMILESOc1ccc(CN2CCNCC2)c2ccccc12
InChIInChI=1S/C15H18N2O/c18-15-6-5-12(11-17-9-7-16-8-10-17)13-3-1-2-4-14(13)15/h1-6,16,18H,7-11H2
InChIKeyIIGWCJPHPQIMBS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.95
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)naphthalen-1-ol

4-(piperazin-1-ylmethyl)naphthalen-1-ol (PubChem CID 82263156) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)naphthalen-1-ol
PubChem CID82263156
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(piperazin-1-ylmethyl)naphthalen-1-ol
SMILESOc1ccc(CN2CCNCC2)c2ccccc12
InChIInChI=1S/C15H18N2O/c18-15-6-5-12(11-17-9-7-16-8-10-17)13-3-1-2-4-14(13)15/h1-6,16,18H,7-11H2
InChIKeyIIGWCJPHPQIMBS-UHFFFAOYSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
CID 96806763
4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]naphthalen-1-ol
CID 70246534
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
3-chloro-6-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117358874
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
4-(piperazin-1-ylmethyl)cinnoline
CID 83893270

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)naphthalen-1-ol?
The IUPAC name of 4-(piperazin-1-ylmethyl)naphthalen-1-ol (CID 82263156) is 4-(piperazin-1-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 4-(piperazin-1-ylmethyl)naphthalen-1-ol is Oc1ccc(CN2CCNCC2)c2ccccc12.
What is the InChIKey of 4-(piperazin-1-ylmethyl)naphthalen-1-ol?
The InChIKey is IIGWCJPHPQIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-6-5-12(11-17-9-7-16-8-10-17)13-3-1-2-4-14(13)15/h1-6,16,18H,7-11H2.
What are the key properties of 4-(piperazin-1-ylmethyl)naphthalen-1-ol?
4-(piperazin-1-ylmethyl)naphthalen-1-ol has a molecular weight of 242.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 82263156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).