1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one

C13H24N2O5 — CID 23377764

IUPAC1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one
SMILESO=C(COC1CC[NH+]([O-])CC1)COC1CC[NH+]([O-])CC1
InChIInChI=1S/C13H24N2O5/c16-11(9-19-12-1-5-14(17)6-2-12)10-20-13-3-7-15(18)8-4-13/h12-15H,1-10H2
InChIKeyVXNAVIDSNTZHTA-UHFFFAOYSA-N
MW288.34 g/mol
LogP-2.32
Rot. Bonds6

About 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one

1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one (PubChem CID 23377764) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one
PubChem CID23377764
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one
SMILESO=C(COC1CC[NH+]([O-])CC1)COC1CC[NH+]([O-])CC1
InChIInChI=1S/C13H24N2O5/c16-11(9-19-12-1-5-14(17)6-2-12)10-20-13-3-7-15(18)8-4-13/h12-15H,1-10H2
InChIKeyVXNAVIDSNTZHTA-UHFFFAOYSA-N
XLogP-2.32
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[(4-tert-butylcyclohexyl)oxy]propan-2-one
CID 51351178
1-cyclobutyloxypentan-2-one
CID 62142575
2-(4-fluorocyclohexyl)oxyacetic acid
CID 84732095
1-(1-methylpiperidin-4-yl)oxybutan-2-one
CID 143481860
1-cyclohexyloxy-4,4-dimethylpentan-2-one
CID 174714490
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
1-cyclohexyloxy-5-methylhexan-2-one
CID 174714498
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
2-(4-aminocyclohexyl)oxyacetamide
CID 62806870
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one?
The IUPAC name of 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one (CID 23377764) is 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one.
What is the SMILES notation for 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one?
The canonical SMILES for 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one is O=C(COC1CC[NH+]([O-])CC1)COC1CC[NH+]([O-])CC1.
What is the InChIKey of 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one?
The InChIKey is VXNAVIDSNTZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c16-11(9-19-12-1-5-14(17)6-2-12)10-20-13-3-7-15(18)8-4-13/h12-15H,1-10H2.
What are the key properties of 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one?
1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one has a molecular weight of 288.34 g/mol, XLogP of -2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1-oxidopiperidin-1-ium-4-yl)oxy]propan-2-one is sourced from PubChem (CID 23377764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).