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

C13H23N5O — CID 107161722

IUPACN'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide
SMILESCn1ccnc1CCN1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C13H23N5O/c1-13(12(14)16-19)4-8-18(9-5-13)7-3-11-15-6-10-17(11)2/h6,10,19H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyIMAZFPKTRXYEJW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.81
Rot. Bonds4

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

N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide (PubChem CID 107161722) 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-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide
PubChem CID107161722
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide
SMILESCn1ccnc1CCN1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C13H23N5O/c1-13(12(14)16-19)4-8-18(9-5-13)7-3-11-15-6-10-17(11)2/h6,10,19H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyIMAZFPKTRXYEJW-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

N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
CID 107161850
(1-methylcyclopropyl)-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137342045
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propanethioamide
CID 114527913
N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
CID 107161765
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
CID 114527386
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide (CID 107161722) is N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide is Cn1ccnc1CCN1CCC(C)(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide?
The InChIKey is IMAZFPKTRXYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(12(14)16-19)4-8-18(9-5-13)7-3-11-15-6-10-17(11)2/h6,10,19H,3-5,7-9H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-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-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107161722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).