4-nonyl-2-(2-piperazin-1-ylethyl)phenol

C21H36N2O — CID 175375260

IUPAC4-nonyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCCCCCCCCCc1ccc(O)c(CCN2CCNCC2)c1
InChIInChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-19-10-11-21(24)20(18-19)12-15-23-16-13-22-14-17-23/h10-11,18,22,24H,2-9,12-17H2,1H3
InChIKeyCBYCAZYIYPVHAR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.13
Rot. Bonds11

About 4-nonyl-2-(2-piperazin-1-ylethyl)phenol

4-nonyl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 175375260) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 4-nonyl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-nonyl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID175375260
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name4-nonyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCCCCCCCCCc1ccc(O)c(CCN2CCNCC2)c1
InChIInChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-19-10-11-21(24)20(18-19)12-15-23-16-13-22-14-17-23/h10-11,18,22,24H,2-9,12-17H2,1H3
InChIKeyCBYCAZYIYPVHAR-UHFFFAOYSA-N
XLogP4.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptylphenol
CID 58289223
4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
CID 117443167
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
2-ethyl-5-nonylphenol
CID 54394722
2-[2,2-dihydroxyethyl-[(2-hydroxy-5-octylphenyl)methyl]amino]ethane-1,1-diol
CID 101326369
2-[2,2-dihydroxyethyl-[(5-heptyl-2-hydroxyphenyl)methyl]amino]ethane-1,1-diol
CID 101326363
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol
CID 117470913
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
2-[(5-heptyl-2-hydroxyphenyl)methylamino]ethane-1,1-diol
CID 101326315
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-nonyl-2-(2-piperazin-1-ylethyl)phenol (CID 175375260) is 4-nonyl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-nonyl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-nonyl-2-(2-piperazin-1-ylethyl)phenol is CCCCCCCCCc1ccc(O)c(CCN2CCNCC2)c1.
What is the InChIKey of 4-nonyl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is CBYCAZYIYPVHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-19-10-11-21(24)20(18-19)12-15-23-16-13-22-14-17-23/h10-11,18,22,24H,2-9,12-17H2,1H3.
What are the key properties of 4-nonyl-2-(2-piperazin-1-ylethyl)phenol?
4-nonyl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 332.53 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 175375260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).