N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride

C15H30ClN5O — CID 162331259

IUPACN-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CCC(OCC)CC1)N1CCCC(C)C1
InChIInChI=1S/C15H29N5O.ClH/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20;/h12-13H,3-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyDTVBVTAMYIJIPM-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.89
Rot. Bonds2

About N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride

N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 162331259) has the molecular formula C15H30ClN5O and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
PubChem CID162331259
Molecular FormulaC15H30ClN5O
Molecular Weight331.89 g/mol
Exact Mass331.21
IUPAC NameN-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CCC(OCC)CC1)N1CCCC(C)C1
InChIInChI=1S/C15H29N5O.ClH/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20;/h12-13H,3-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyDTVBVTAMYIJIPM-UHFFFAOYSA-N
XLogP1.89
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.89
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-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride (CID 162331259) is N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(/N=C(N)N1CCC(OCC)CC1)N1CCCC(C)C1.
What is the InChIKey of N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The InChIKey is DTVBVTAMYIJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O.ClH/c1-3-21-13-6-9-19(10-7-13)14(16)18-15(17)20-8-4-5-12(2)11-20;/h12-13H,3-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 162331259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).