(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one

C13H23N3O2 — CID 18172370

IUPAC(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(/C(CN1CCCCC1)=N\O)N1CCCCC1
InChIInChI=1S/C13H23N3O2/c17-13(16-9-5-2-6-10-16)12(14-18)11-15-7-3-1-4-8-15/h18H,1-11H2/b14-12-
InChIKeyFPFRIXBCHMSLOI-OWBHPGMISA-N
MW253.35 g/mol
LogP1.32
Rot. Bonds3

About (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one

(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one (PubChem CID 18172370) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one
PubChem CID18172370
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(/C(CN1CCCCC1)=N\O)N1CCCCC1
InChIInChI=1S/C13H23N3O2/c17-13(16-9-5-2-6-10-16)12(14-18)11-15-7-3-1-4-8-15/h18H,1-11H2/b14-12-
InChIKeyFPFRIXBCHMSLOI-OWBHPGMISA-N
XLogP1.32
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one (CID 18172370) is (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one is O=C(/C(CN1CCCCC1)=N\O)N1CCCCC1.
What is the InChIKey of (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one?
The InChIKey is FPFRIXBCHMSLOI-OWBHPGMISA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(16-9-5-2-6-10-16)12(14-18)11-15-7-3-1-4-8-15/h18H,1-11H2/b14-12-.
What are the key properties of (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one?
(2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one has a molecular weight of 253.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-1,3-di(piperidin-1-yl)propan-1-one is sourced from PubChem (CID 18172370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).