1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one

C8H15NO2 — CID 55264306

IUPAC1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one
SMILESC[C@H](CO)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO2/c1-7(6-10)9-4-2-8(11)3-5-9/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyZDSPIKGNUFEXEZ-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.03
Rot. Bonds2

About 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one

1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one (PubChem CID 55264306) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one
PubChem CID55264306
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one
SMILESC[C@H](CO)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO2/c1-7(6-10)9-4-2-8(11)3-5-9/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyZDSPIKGNUFEXEZ-SSDOTTSWSA-N
XLogP0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one (CID 55264306) is 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one is C[C@H](CO)N1CCC(=O)CC1.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one?
The InChIKey is ZDSPIKGNUFEXEZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(6-10)9-4-2-8(11)3-5-9/h7,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one?
1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one has a molecular weight of 157.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]piperidin-4-one is sourced from PubChem (CID 55264306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).