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

C17H25NO2 — CID 3621729

IUPAC1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC(c1ccccc1)C1OCC(CN2CCCCC2)O1
InChIInChI=1S/C17H25NO2/c1-14(15-8-4-2-5-9-15)17-19-13-16(20-17)12-18-10-6-3-7-11-18/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3
InChIKeyODYIWFSYHAIAAO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.02
Rot. Bonds4

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

1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 3621729) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID3621729
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC(c1ccccc1)C1OCC(CN2CCCCC2)O1
InChIInChI=1S/C17H25NO2/c1-14(15-8-4-2-5-9-15)17-19-13-16(20-17)12-18-10-6-3-7-11-18/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3
InChIKeyODYIWFSYHAIAAO-UHFFFAOYSA-N
XLogP3.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine (CID 3621729) is 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine is CC(c1ccccc1)C1OCC(CN2CCCCC2)O1.
What is the InChIKey of 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is ODYIWFSYHAIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(15-8-4-2-5-9-15)17-19-13-16(20-17)12-18-10-6-3-7-11-18/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3.
What are the key properties of 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 3621729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).