4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol

C13H20N2O2 — CID 83897174

IUPAC4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol
SMILESCOCc1ccc(O)c(CN2CCNCC2)c1
InChIInChI=1S/C13H20N2O2/c1-17-10-11-2-3-13(16)12(8-11)9-15-6-4-14-5-7-15/h2-3,8,14,16H,4-7,9-10H2,1H3
InChIKeyNHJATUSRDAXQCP-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.94
Rot. Bonds4

About 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol

4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol (PubChem CID 83897174) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol
PubChem CID83897174
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol
SMILESCOCc1ccc(O)c(CN2CCNCC2)c1
InChIInChI=1S/C13H20N2O2/c1-17-10-11-2-3-13(16)12(8-11)9-15-6-4-14-5-7-15/h2-3,8,14,16H,4-7,9-10H2,1H3
InChIKeyNHJATUSRDAXQCP-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
CID 138472326
methyl 2-[4-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 143592740
4-nonyl-2-(2-piperazin-1-ylethyl)phenol
CID 175375260

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol (CID 83897174) is 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol is COCc1ccc(O)c(CN2CCNCC2)c1.
What is the InChIKey of 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol?
The InChIKey is NHJATUSRDAXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-10-11-2-3-13(16)12(8-11)9-15-6-4-14-5-7-15/h2-3,8,14,16H,4-7,9-10H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol?
4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol has a molecular weight of 236.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 83897174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).