N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide

C13H23N5O — CID 107161850

IUPACN'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
SMILESCn1cc(CCN2CCC(C)(/C(N)=N/O)CC2)cn1
InChIInChI=1S/C13H23N5O/c1-13(12(14)16-19)4-7-18(8-5-13)6-3-11-9-15-17(2)10-11/h9-10,19H,3-8H2,1-2H3,(H2,14,16)
InChIKeyBZDYBHIHRSGBRV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.81
Rot. Bonds4

About N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide (PubChem CID 107161850) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
PubChem CID107161850
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
SMILESCn1cc(CCN2CCC(C)(/C(N)=N/O)CC2)cn1
InChIInChI=1S/C13H23N5O/c1-13(12(14)16-19)4-7-18(8-5-13)6-3-11-9-15-17(2)10-11/h9-10,19H,3-8H2,1-2H3,(H2,14,16)
InChIKeyBZDYBHIHRSGBRV-UHFFFAOYSA-N
XLogP0.81
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.81
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

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carbothioamide
CID 103002659
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
CID 107161765
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
CID 77038911
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]cycloheptane-1-carboxamide
CID 76928237
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
CID 103006333

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide (CID 107161850) is N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide is Cn1cc(CCN2CCC(C)(/C(N)=N/O)CC2)cn1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide?
The InChIKey is BZDYBHIHRSGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(12(14)16-19)4-7-18(8-5-13)6-3-11-9-15-17(2)10-11/h9-10,19H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107161850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).