1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine

C11H21NO2 — CID 158168307

IUPAC1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
SMILESCC1OCC(CN2CCCCC2)CO1
InChIInChI=1S/C11H21NO2/c1-10-13-8-11(9-14-10)7-12-5-3-2-4-6-12/h10-11H,2-9H2,1H3
InChIKeyFXCVJHJRPXPKLX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds2

About 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine

1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine (PubChem CID 158168307) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
PubChem CID158168307
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
SMILESCC1OCC(CN2CCCCC2)CO1
InChIInChI=1S/C11H21NO2/c1-10-13-8-11(9-14-10)7-12-5-3-2-4-6-12/h10-11H,2-9H2,1H3
InChIKeyFXCVJHJRPXPKLX-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The IUPAC name of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine (CID 158168307) is 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine is CC1OCC(CN2CCCCC2)CO1.
What is the InChIKey of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The InChIKey is FXCVJHJRPXPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10-13-8-11(9-14-10)7-12-5-3-2-4-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine has a molecular weight of 199.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine is sourced from PubChem (CID 158168307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).