2-methoxy-5-(2-piperazin-1-ylethyl)phenol

C13H20N2O2 — CID 83294637

IUPAC2-methoxy-5-(2-piperazin-1-ylethyl)phenol
SMILESCOc1ccc(CCN2CCNCC2)cc1O
InChIInChI=1S/C13H20N2O2/c1-17-13-3-2-11(10-12(13)16)4-7-15-8-5-14-6-9-15/h2-3,10,14,16H,4-9H2,1H3
InChIKeyFCBCYTUESFALCK-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.85
Rot. Bonds4

About 2-methoxy-5-(2-piperazin-1-ylethyl)phenol

2-methoxy-5-(2-piperazin-1-ylethyl)phenol (PubChem CID 83294637) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-5-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(2-piperazin-1-ylethyl)phenol
PubChem CID83294637
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-5-(2-piperazin-1-ylethyl)phenol
SMILESCOc1ccc(CCN2CCNCC2)cc1O
InChIInChI=1S/C13H20N2O2/c1-17-13-3-2-11(10-12(13)16)4-7-15-8-5-14-6-9-15/h2-3,10,14,16H,4-9H2,1H3
InChIKeyFCBCYTUESFALCK-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 2-methoxy-5-(2-piperazin-1-ylethyl)phenol (CID 83294637) is 2-methoxy-5-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2-methoxy-5-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2-methoxy-5-(2-piperazin-1-ylethyl)phenol is COc1ccc(CCN2CCNCC2)cc1O.
What is the InChIKey of 2-methoxy-5-(2-piperazin-1-ylethyl)phenol?
The InChIKey is FCBCYTUESFALCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13-3-2-11(10-12(13)16)4-7-15-8-5-14-6-9-15/h2-3,10,14,16H,4-9H2,1H3.
What are the key properties of 2-methoxy-5-(2-piperazin-1-ylethyl)phenol?
2-methoxy-5-(2-piperazin-1-ylethyl)phenol has a molecular weight of 236.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 83294637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).