1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine

C11H20FNO2 — CID 126793844

IUPAC1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(CC2COCCO2)C1
InChIInChI=1S/C11H20FNO2/c1-11(12)3-2-4-13(9-11)7-10-8-14-5-6-15-10/h10H,2-9H2,1H3
InChIKeyCVAWVNMVMKMVAZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine

1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine (PubChem CID 126793844) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
PubChem CID126793844
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(CC2COCCO2)C1
InChIInChI=1S/C11H20FNO2/c1-11(12)3-2-4-13(9-11)7-10-8-14-5-6-15-10/h10H,2-9H2,1H3
InChIKeyCVAWVNMVMKMVAZ-UHFFFAOYSA-N
XLogP1.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine (CID 126793844) is 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine is CC1(F)CCCN(CC2COCCO2)C1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine?
The InChIKey is CVAWVNMVMKMVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(12)3-2-4-13(9-11)7-10-8-14-5-6-15-10/h10H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine?
1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine has a molecular weight of 217.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 126793844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).