N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide

C14H25N3O2 — CID 76920953

IUPACN'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCC1CCN(C(=O)C2(C(N)=NO)CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11-5-9-17(10-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyHVTBHBVXIIPPGT-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds2

About N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide

N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide (PubChem CID 76920953) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
PubChem CID76920953
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCC1CCN(C(=O)C2(C(N)=NO)CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11-5-9-17(10-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyHVTBHBVXIIPPGT-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide (CID 76920953) is N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide is CC1CCN(C(=O)C2(C(N)=NO)CCCCC2)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
The InChIKey is HVTBHBVXIIPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-5-9-17(10-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide is sourced from PubChem (CID 76920953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).