3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C12H20N6O — CID 123836010

IUPAC3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)CC1
InChIInChI=1S/C12H20N6O/c1-8-6-12(17-16-8)15-10(13)7-11(14)18-4-2-9(19)3-5-18/h6,9,14,19H,2-5,7H2,1H3,(H3,13,15,16,17)/b14-11+
InChIKeyXISQFWMFTXTJMG-SDNWHVSQSA-N
MW264.33 g/mol
LogP0.53
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123836010) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123836010
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)CC1
InChIInChI=1S/C12H20N6O/c1-8-6-12(17-16-8)15-10(13)7-11(14)18-4-2-9(19)3-5-18/h6,9,14,19H,2-5,7H2,1H3,(H3,13,15,16,17)/b14-11+
InChIKeyXISQFWMFTXTJMG-SDNWHVSQSA-N
XLogP0.53
TPSA114.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123836010) is 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is XISQFWMFTXTJMG-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8-6-12(17-16-8)15-10(13)7-11(14)18-4-2-9(19)3-5-18/h6,9,14,19H,2-5,7H2,1H3,(H3,13,15,16,17)/b14-11+.
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 264.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123836010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).