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

C14H28ClN5O — CID 162337473

IUPACN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O.ClH/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);1H
InChIKeyCZZXEEFBKCFCLA-UHFFFAOYSA-N
MW317.87 g/mol
LogP1.50
Rot. Bonds1

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

N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride (PubChem CID 162337473) has the molecular formula C14H28ClN5O and a molecular weight of 317.87 g/mol. Its IUPAC name is N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
PubChem CID162337473
Molecular FormulaC14H28ClN5O
Molecular Weight317.87 g/mol
Exact Mass317.20
IUPAC NameN-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C14H27N5O.ClH/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);1H
InChIKeyCZZXEEFBKCFCLA-UHFFFAOYSA-N
XLogP1.50
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 51.50
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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Related Compounds

N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 153709113
N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 154012545
N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 162331259
N'-amino-N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 173714175
N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
CID 176518461
N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
CID 176518471
4-methoxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62362103
N-(diaminomethylidene)-4-methoxypiperidine-1-carboximidamide
CID 83031275
N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 86778572
N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86778573
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide
CID 91642294
(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 96561201

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride (CID 162337473) is N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is CZZXEEFBKCFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O.ClH/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);1H.
What are the key properties of N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride?
N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride has a molecular weight of 317.87 g/mol, XLogP of 1.50, 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;hydrochloride is sourced from PubChem (CID 162337473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).