4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine

C16H21NO2 — CID 66750667

IUPAC4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine
SMILESC1=C(CN2CCC(Cc3ccccc3)CC2)OCO1
InChIInChI=1S/C16H21NO2/c1-2-4-14(5-3-1)10-15-6-8-17(9-7-15)11-16-12-18-13-19-16/h1-5,12,15H,6-11,13H2
InChIKeyAZDMMFMYODLGGS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.79
Rot. Bonds4

About 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine

4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine (PubChem CID 66750667) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine
PubChem CID66750667
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine
SMILESC1=C(CN2CCC(Cc3ccccc3)CC2)OCO1
InChIInChI=1S/C16H21NO2/c1-2-4-14(5-3-1)10-15-6-8-17(9-7-15)11-16-12-18-13-19-16/h1-5,12,15H,6-11,13H2
InChIKeyAZDMMFMYODLGGS-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine (CID 66750667) is 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine is C1=C(CN2CCC(Cc3ccccc3)CC2)OCO1.
What is the InChIKey of 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine?
The InChIKey is AZDMMFMYODLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-14(5-3-1)10-15-6-8-17(9-7-15)11-16-12-18-13-19-16/h1-5,12,15H,6-11,13H2.
What are the key properties of 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine?
4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine has a molecular weight of 259.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,3-dioxol-4-ylmethyl)piperidine is sourced from PubChem (CID 66750667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).