1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine

C16H23NO3 — CID 2828534

IUPAC1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCOc1ccc(C2OCC(CN3CCCCC3)O2)cc1
InChIInChI=1S/C16H23NO3/c1-18-14-7-5-13(6-8-14)16-19-12-15(20-16)11-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyADGBENJAAOINKA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.60
Rot. Bonds4

About 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine

1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 2828534) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID2828534
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCOc1ccc(C2OCC(CN3CCCCC3)O2)cc1
InChIInChI=1S/C16H23NO3/c1-18-14-7-5-13(6-8-14)16-19-12-15(20-16)11-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyADGBENJAAOINKA-UHFFFAOYSA-N
XLogP2.60
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine (CID 2828534) is 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine is COc1ccc(C2OCC(CN3CCCCC3)O2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is ADGBENJAAOINKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-14-7-5-13(6-8-14)16-19-12-15(20-16)11-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 277.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 2828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).