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

C15H19NO2 — CID 67551939

IUPAC4-benzyl-1-(1,3-dioxol-4-yl)piperidine
SMILESC1=C(N2CCC(Cc3ccccc3)CC2)OCO1
InChIInChI=1S/C15H19NO2/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15/h1-5,11,14H,6-10,12H2
InChIKeySYMGBPZUDUCJGM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.74
Rot. Bonds3

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

4-benzyl-1-(1,3-dioxol-4-yl)piperidine (PubChem CID 67551939) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-benzyl-1-(1,3-dioxol-4-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1,3-dioxol-4-yl)piperidine
PubChem CID67551939
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-benzyl-1-(1,3-dioxol-4-yl)piperidine
SMILESC1=C(N2CCC(Cc3ccccc3)CC2)OCO1
InChIInChI=1S/C15H19NO2/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15/h1-5,11,14H,6-10,12H2
InChIKeySYMGBPZUDUCJGM-UHFFFAOYSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.74
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-yl)piperidine?
The IUPAC name of 4-benzyl-1-(1,3-dioxol-4-yl)piperidine (CID 67551939) is 4-benzyl-1-(1,3-dioxol-4-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1,3-dioxol-4-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(1,3-dioxol-4-yl)piperidine is C1=C(N2CCC(Cc3ccccc3)CC2)OCO1.
What is the InChIKey of 4-benzyl-1-(1,3-dioxol-4-yl)piperidine?
The InChIKey is SYMGBPZUDUCJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-4-13(5-3-1)10-14-6-8-16(9-7-14)15-11-17-12-18-15/h1-5,11,14H,6-10,12H2.
What are the key properties of 4-benzyl-1-(1,3-dioxol-4-yl)piperidine?
4-benzyl-1-(1,3-dioxol-4-yl)piperidine has a molecular weight of 245.32 g/mol, XLogP of 2.74, 3 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-yl)piperidine is sourced from PubChem (CID 67551939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).