(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride

C7H17Cl2N3O — CID 53305610

IUPAC(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
SMILESCO/N=C1\CNCCC1(C)N.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-7(8)3-4-9-5-6(7)10-11-2;;/h9H,3-5,8H2,1-2H3;2*1H/b10-6+;;
InChIKeyIFFUHSZZOPBHBZ-DOLBFOAYSA-N
MW230.14 g/mol
LogP0.54
Rot. Bonds1

About (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride

(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride (PubChem CID 53305610) has the molecular formula C7H17Cl2N3O and a molecular weight of 230.14 g/mol. Its IUPAC name is (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
PubChem CID53305610
Molecular FormulaC7H17Cl2N3O
Molecular Weight230.14 g/mol
Exact Mass229.07
IUPAC Name(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
SMILESCO/N=C1\CNCCC1(C)N.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-7(8)3-4-9-5-6(7)10-11-2;;/h9H,3-5,8H2,1-2H3;2*1H/b10-6+;;
InChIKeyIFFUHSZZOPBHBZ-DOLBFOAYSA-N
XLogP0.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
CID 123988142
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
CID 142628210
(3Z)-3-methoxyiminopiperidin-4-amine
CID 55284082
4-methoxypiperidin-4-amine
CID 105427555
5,5-dimethylazepan-3-one
CID 82594303
methyl 4-methyl-3-oxopiperidine-4-carboxylate
CID 84654077
(3E)-3-methoxyimino-N-methylpiperidin-4-amine
CID 71567168
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917
ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine
CID 144954121
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride (CID 53305610) is (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride is CO/N=C1\CNCCC1(C)N.Cl.Cl.
What is the InChIKey of (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is IFFUHSZZOPBHBZ-DOLBFOAYSA-N. The full InChI is InChI=1S/C7H15N3O.2ClH/c1-7(8)3-4-9-5-6(7)10-11-2;;/h9H,3-5,8H2,1-2H3;2*1H/b10-6+;;.
What are the key properties of (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride?
(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 230.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 53305610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).