1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine

C13H27NO3Si — CID 67462069

IUPAC1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
SMILESCO[Si]1(C)CCCOCC(CN2CCCCC2)O1
InChIInChI=1S/C13H27NO3Si/c1-15-18(2)10-6-9-16-12-13(17-18)11-14-7-4-3-5-8-14/h13H,3-12H2,1-2H3
InChIKeyFNNWXRVXBVKLFP-UHFFFAOYSA-N
MW273.45 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine

1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine (PubChem CID 67462069) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
PubChem CID67462069
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
SMILESCO[Si]1(C)CCCOCC(CN2CCCCC2)O1
InChIInChI=1S/C13H27NO3Si/c1-15-18(2)10-6-9-16-12-13(17-18)11-14-7-4-3-5-8-14/h13H,3-12H2,1-2H3
InChIKeyFNNWXRVXBVKLFP-UHFFFAOYSA-N
XLogP2.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine?
The IUPAC name of 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine (CID 67462069) is 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine is CO[Si]1(C)CCCOCC(CN2CCCCC2)O1.
What is the InChIKey of 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine?
The InChIKey is FNNWXRVXBVKLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-15-18(2)10-6-9-16-12-13(17-18)11-14-7-4-3-5-8-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine?
1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine has a molecular weight of 273.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine is sourced from PubChem (CID 67462069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).