2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C16H30N4O — CID 79562785

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N4O/c1-16(2,15(17)18-21)20-7-5-19(6-8-20)11-14-10-12-3-4-13(14)9-12/h12-14,21H,3-11H2,1-2H3,(H2,17,18)
InChIKeyQDFXVHZBBJUFKL-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.57
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 79562785) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID79562785
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N4O/c1-16(2,15(17)18-21)20-7-5-19(6-8-20)11-14-10-12-3-4-13(14)9-12/h12-14,21H,3-11H2,1-2H3,(H2,17,18)
InChIKeyQDFXVHZBBJUFKL-UHFFFAOYSA-N
XLogP1.57
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 79551703
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 105361624
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012657
2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 82927577
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
CID 103409998
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 79562785) is 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(C(N)=NO)N1CCN(CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QDFXVHZBBJUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(2,15(17)18-21)20-7-5-19(6-8-20)11-14-10-12-3-4-13(14)9-12/h12-14,21H,3-11H2,1-2H3,(H2,17,18).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 294.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 79562785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).