5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol

C23H31NO — CID 122184327

IUPAC5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
SMILESCCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C23H31NO/c1-2-19-9-11-20(12-10-19)7-6-8-21-13-14-22(23(25)17-21)18-24-15-4-3-5-16-24/h9-14,17,25H,2-8,15-16,18H2,1H3
InChIKeyGZQAYGPBBHGNHC-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.12
Rot. Bonds7

About 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol

5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol (PubChem CID 122184327) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
PubChem CID122184327
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
SMILESCCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C23H31NO/c1-2-19-9-11-20(12-10-19)7-6-8-21-13-14-22(23(25)17-21)18-24-15-4-3-5-16-24/h9-14,17,25H,2-8,15-16,18H2,1H3
InChIKeyGZQAYGPBBHGNHC-UHFFFAOYSA-N
XLogP5.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(piperidin-1-ylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]phenol;hydrochloride
CID 122184324
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
5-[4-[3-hydroxy-4-(pyrrolidin-1-ylmethyl)phenyl]hex-3-en-3-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 67425831
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
2-ethyl-5-nonylphenol
CID 54394722
2-ethyl-5-propylphenol
CID 522454
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
CID 170868003
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
2-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-fluorophenol
CID 50973078
5-(azepan-1-ylmethyl)-2-bromophenol
CID 117220063
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol (CID 122184327) is 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol is CCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.
What is the InChIKey of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is GZQAYGPBBHGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-19-9-11-20(12-10-19)7-6-8-21-13-14-22(23(25)17-21)18-24-15-4-3-5-16-24/h9-14,17,25H,2-8,15-16,18H2,1H3.
What are the key properties of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 337.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 122184327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).