1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one

C10H18N2O2 — CID 67359848

IUPAC1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one
SMILESN[C@H]1COCC[C@H]1N1CCC(=O)CC1
InChIInChI=1S/C10H18N2O2/c11-9-7-14-6-3-10(9)12-4-1-8(13)2-5-12/h9-10H,1-7,11H2/t9-,10+/m0/s1
InChIKeyXIGJXLULBRSPGD-VHSXEESVSA-N
MW198.27 g/mol
LogP-0.23
Rot. Bonds1

About 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one

1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one (PubChem CID 67359848) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one
PubChem CID67359848
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one
SMILESN[C@H]1COCC[C@H]1N1CCC(=O)CC1
InChIInChI=1S/C10H18N2O2/c11-9-7-14-6-3-10(9)12-4-1-8(13)2-5-12/h9-10H,1-7,11H2/t9-,10+/m0/s1
InChIKeyXIGJXLULBRSPGD-VHSXEESVSA-N
XLogP-0.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one?
The IUPAC name of 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one (CID 67359848) is 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one?
The canonical SMILES for 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one is N[C@H]1COCC[C@H]1N1CCC(=O)CC1.
What is the InChIKey of 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one?
The InChIKey is XIGJXLULBRSPGD-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-7-14-6-3-10(9)12-4-1-8(13)2-5-12/h9-10H,1-7,11H2/t9-,10+/m0/s1.
What are the key properties of 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one?
1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one has a molecular weight of 198.27 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one is sourced from PubChem (CID 67359848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).