N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide

C19H38N4O — CID 119155651

IUPACN-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C19H38N4O/c1-6-20-18(22-11-7-8-16(2)14-22)21-15-19(3,4)23-12-9-17(24-5)10-13-23/h16-17H,6-15H2,1-5H3,(H,20,21)
InChIKeyZRUFFHAEIBAQQI-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 119155651) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
PubChem CID119155651
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC NameN-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N1CCC(OC)CC1)N1CCCC(C)C1
InChIInChI=1S/C19H38N4O/c1-6-20-18(22-11-7-8-16(2)14-22)21-15-19(3,4)23-12-9-17(24-5)10-13-23/h16-17H,6-15H2,1-5H3,(H,20,21)
InChIKeyZRUFFHAEIBAQQI-UHFFFAOYSA-N
XLogP2.57
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
CID 111143938
N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737302
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110939301
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111499233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide (CID 119155651) is N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide is CCN/C(=N\CC(C)(C)N1CCC(OC)CC1)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ZRUFFHAEIBAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-6-20-18(22-11-7-8-16(2)14-22)21-15-19(3,4)23-12-9-17(24-5)10-13-23/h16-17H,6-15H2,1-5H3,(H,20,21).
What are the key properties of N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 338.54 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119155651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).