3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one

C12H18N2O2 — CID 136776185

IUPAC3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1/C=N/CC1CCNCC1
InChIInChI=1S/C12H18N2O2/c15-11-1-2-12(16)10(11)8-14-7-9-3-5-13-6-4-9/h8-9,13,15H,1-7H2/b14-8+
InChIKeyUESDXUYFVXXPBV-RIYZIHGNSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds3

About 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one

3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one (PubChem CID 136776185) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one
PubChem CID136776185
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1/C=N/CC1CCNCC1
InChIInChI=1S/C12H18N2O2/c15-11-1-2-12(16)10(11)8-14-7-9-3-5-13-6-4-9/h8-9,13,15H,1-7H2/b14-8+
InChIKeyUESDXUYFVXXPBV-RIYZIHGNSA-N
XLogP1.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-5,5-dimethyl-2-(piperidin-1-ium-4-ylmethyliminomethyl)cyclohex-2-en-1-one
CID 135475030
4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
CID 135513787
1-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)methanimine
CID 59334459
N-(piperidin-4-ylmethyl)cyclopropanimine
CID 163953059
4-(isocyanatomethyl)piperidine
CID 84762613
5-(furan-2-yl)-2-(piperidin-4-ylmethyliminomethyl)cyclohexane-1,3-dione
CID 6945528
2-piperidin-4-ylacetaldehyde
CID 23401441
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one
CID 117029876
(E)-3-(pyrrolidin-3-ylmethylimino)prop-1-en-1-amine
CID 153394096
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one (CID 136776185) is 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one is O=C1CCC(O)=C1/C=N/CC1CCNCC1.
What is the InChIKey of 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one?
The InChIKey is UESDXUYFVXXPBV-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-1-2-12(16)10(11)8-14-7-9-3-5-13-6-4-9/h8-9,13,15H,1-7H2/b14-8+.
What are the key properties of 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one?
3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(piperidin-4-ylmethyliminomethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 136776185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).