N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide

C14H27N5O — CID 154012545

IUPACN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyXVBHFIGEMNREIX-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.08
Rot. Bonds1

About N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide

N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide (PubChem CID 154012545) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
PubChem CID154012545
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyXVBHFIGEMNREIX-UHFFFAOYSA-N
XLogP1.08
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide (CID 154012545) is N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide is [H]/N=C(/N=C(N)N1CCC(OC)CC1)N1CCCC(C)C1.
What is the InChIKey of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide?
The InChIKey is XVBHFIGEMNREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11-4-3-7-19(10-11)14(16)17-13(15)18-8-5-12(20-2)6-9-18/h11-12H,3-10H2,1-2H3,(H3,15,16,17).
What are the key properties of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide?
N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 154012545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).