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

C22H29NO — CID 122185202

IUPAC5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
SMILESCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C22H29NO/c1-18-8-10-19(11-9-18)6-5-7-20-12-13-21(22(24)16-20)17-23-14-3-2-4-15-23/h8-13,16,24H,2-7,14-15,17H2,1H3
InChIKeyCTMWCBWYLMQUDC-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.86
Rot. Bonds6

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

5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol (PubChem CID 122185202) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
PubChem CID122185202
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
SMILESCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1
InChIInChI=1S/C22H29NO/c1-18-8-10-19(11-9-18)6-5-7-20-12-13-21(22(24)16-20)17-23-14-3-2-4-15-23/h8-13,16,24H,2-7,14-15,17H2,1H3
InChIKeyCTMWCBWYLMQUDC-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.86
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-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol (CID 122185202) is 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol is Cc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is CTMWCBWYLMQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-8-10-19(11-9-18)6-5-7-20-12-13-21(22(24)16-20)17-23-14-3-2-4-15-23/h8-13,16,24H,2-7,14-15,17H2,1H3.
What are the key properties of 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol?
5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 323.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 122185202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).