N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C17H30N4O — CID 110920430

IUPACN'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCN(CC)C(C/N=C(\N)N1CCC(C)CC1)c1ccco1
InChIInChI=1S/C17H30N4O/c1-4-20(5-2)15(16-7-6-12-22-16)13-19-17(18)21-10-8-14(3)9-11-21/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H2,18,19)
InChIKeyWEUWACQJZMRGRZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.71
Rot. Bonds6

About N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920430) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920430
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCN(CC)C(C/N=C(\N)N1CCC(C)CC1)c1ccco1
InChIInChI=1S/C17H30N4O/c1-4-20(5-2)15(16-7-6-12-22-16)13-19-17(18)21-10-8-14(3)9-11-21/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H2,18,19)
InChIKeyWEUWACQJZMRGRZ-UHFFFAOYSA-N
XLogP2.71
TPSA58.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.71
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-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465179
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027583
1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110989727
N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111058255
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111078422
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300260
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153162
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111078347
ethyl 1-[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155136

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110920430) is N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is CCN(CC)C(C/N=C(\N)N1CCC(C)CC1)c1ccco1.
What is the InChIKey of N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is WEUWACQJZMRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-20(5-2)15(16-7-6-12-22-16)13-19-17(18)21-10-8-14(3)9-11-21/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H2,18,19).
What are the key properties of N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 306.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).