N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide

C16H33N3O — CID 86781203

IUPACN'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide
SMILESC/N=C(\NCCC(C)C)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)7-10-18-15(17-6)19-11-8-14(9-12-19)20-16(3,4)5/h13-14H,7-12H2,1-6H3,(H,17,18)
InChIKeyUQPRWEHFEJGOMH-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.89
Rot. Bonds4

About N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide

N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide (PubChem CID 86781203) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide
PubChem CID86781203
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide
SMILESC/N=C(\NCCC(C)C)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)7-10-18-15(17-6)19-11-8-14(9-12-19)20-16(3,4)5/h13-14H,7-12H2,1-6H3,(H,17,18)
InChIKeyUQPRWEHFEJGOMH-UHFFFAOYSA-N
XLogP2.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide (CID 86781203) is N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide is C/N=C(\NCCC(C)C)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide?
The InChIKey is UQPRWEHFEJGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)7-10-18-15(17-6)19-11-8-14(9-12-19)20-16(3,4)5/h13-14H,7-12H2,1-6H3,(H,17,18).
What are the key properties of N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide?
N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide has a molecular weight of 283.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine-1-carboximidamide is sourced from PubChem (CID 86781203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).