4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide

C15H23N3O — CID 62306797

IUPAC4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCN1CCCCC1
InChIInChI=1S/C15H23N3O/c1-12-5-6-13(15(16)17)14(11-12)19-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H3,16,17)
InChIKeyMPYUMIWAMAYAGV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds5

About 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide

4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide (PubChem CID 62306797) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
PubChem CID62306797
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCN1CCCCC1
InChIInChI=1S/C15H23N3O/c1-12-5-6-13(15(16)17)14(11-12)19-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H3,16,17)
InChIKeyMPYUMIWAMAYAGV-UHFFFAOYSA-N
XLogP2.14
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
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

4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
2-bromo-4-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107279595
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide (CID 62306797) is 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1OCCN1CCCCC1.
What is the InChIKey of 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The InChIKey is MPYUMIWAMAYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-6-13(15(16)17)14(11-12)19-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H3,16,17).
What are the key properties of 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 62306797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).