N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide

C15H25N5O — CID 115981994

IUPACN'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
SMILESCc1cccnc1CN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C15H25N5O/c1-12-5-4-6-17-13(12)11-19-7-9-20(10-8-19)15(2,3)14(16)18-21/h4-6,21H,7-11H2,1-3H3,(H2,16,18)
InChIKeyCWMQOIWWKZLALM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.03
Rot. Bonds4

About N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide (PubChem CID 115981994) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
PubChem CID115981994
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
SMILESCc1cccnc1CN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C15H25N5O/c1-12-5-4-6-17-13(12)11-19-7-9-20(10-8-19)15(2,3)14(16)18-21/h4-6,21H,7-11H2,1-3H3,(H2,16,18)
InChIKeyCWMQOIWWKZLALM-UHFFFAOYSA-N
XLogP1.03
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012166
2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 104797626
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012070
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
CID 77012082
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide (CID 115981994) is N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide is Cc1cccnc1CN1CCN(C(C)(C)/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide?
The InChIKey is CWMQOIWWKZLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-5-4-6-17-13(12)11-19-7-9-20(10-8-19)15(2,3)14(16)18-21/h4-6,21H,7-11H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide has a molecular weight of 291.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide is sourced from PubChem (CID 115981994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).