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

C23H32ClNO — CID 122184326

IUPAC5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/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;1H
InChIKeyXOZNUELELVJESS-UHFFFAOYSA-N
MW373.97 g/mol
LogP5.54
Rot. Bonds7

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

5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride (PubChem CID 122184326) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride
PubChem CID122184326
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC Name5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/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;1H
InChIKeyXOZNUELELVJESS-UHFFFAOYSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.54
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The IUPAC name of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride (CID 122184326) is 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride is CCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.Cl.
What is the InChIKey of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The InChIKey is XOZNUELELVJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO.ClH/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;1H.
What are the key properties of 5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 5.54, 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;hydrochloride is sourced from PubChem (CID 122184326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).