N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide

C16H31N3O — CID 120662356

IUPACN'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOC1CCC(C)(C/N=C(\N)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-13-5-4-10-19(11-13)15(17)18-12-16(2)8-6-14(20-3)7-9-16/h13-14H,4-12H2,1-3H3,(H2,17,18)
InChIKeyZUMDPKXWICMOKG-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.63
Rot. Bonds3

About N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 120662356) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID120662356
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOC1CCC(C)(C/N=C(\N)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-13-5-4-10-19(11-13)15(17)18-12-16(2)8-6-14(20-3)7-9-16/h13-14H,4-12H2,1-3H3,(H2,17,18)
InChIKeyZUMDPKXWICMOKG-UHFFFAOYSA-N
XLogP2.63
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
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'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119147169
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 120662356) is N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide is COC1CCC(C)(C/N=C(\N)N2CCCC(C)C2)CC1.
What is the InChIKey of N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ZUMDPKXWICMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-5-4-10-19(11-13)15(17)18-12-16(2)8-6-14(20-3)7-9-16/h13-14H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 281.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 120662356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).