3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate

C17H25NO2 — CID 4169248

IUPAC3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate
SMILESCc1ccc(CCCOC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18-11-3-2-4-12-18/h7-10H,2-6,11-14H2,1H3
InChIKeyFXKVMTGIDSOWDG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.96
Rot. Bonds6

About 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate

3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate (PubChem CID 4169248) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate
PubChem CID4169248
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate
SMILESCc1ccc(CCCOC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18-11-3-2-4-12-18/h7-10H,2-6,11-14H2,1H3
InChIKeyFXKVMTGIDSOWDG-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate?
The IUPAC name of 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate (CID 4169248) is 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate?
The canonical SMILES for 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate is Cc1ccc(CCCOC(=O)CN2CCCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate?
The InChIKey is FXKVMTGIDSOWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18-11-3-2-4-12-18/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate?
3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate has a molecular weight of 275.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)propyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 4169248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).