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

C14H27NO2 — CID 2924969

IUPAC1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC(C)CC1(C)OCC(CN2CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-12(2)9-14(3)16-11-13(17-14)10-15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3
InChIKeyFCIRFJBRDJWJGX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.65
Rot. Bonds4

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

1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 2924969) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID2924969
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC(C)CC1(C)OCC(CN2CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-12(2)9-14(3)16-11-13(17-14)10-15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3
InChIKeyFCIRFJBRDJWJGX-UHFFFAOYSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine (CID 2924969) is 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine is CC(C)CC1(C)OCC(CN2CCCCC2)O1.
What is the InChIKey of 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is FCIRFJBRDJWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)9-14(3)16-11-13(17-14)10-15-7-5-4-6-8-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 241.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 2924969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).