2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride

C13H20ClN3O — CID 82240674

IUPAC2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C13H19N3O.ClH/c1-16-8-6-10(7-9-16)17-12-5-3-2-4-11(12)13(14)15;/h2-5,10H,6-9H2,1H3,(H3,14,15);1H
InChIKeyVTNYEAXPPZEPCP-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.87
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride

2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride (PubChem CID 82240674) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
PubChem CID82240674
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C13H19N3O.ClH/c1-16-8-6-10(7-9-16)17-12-5-3-2-4-11(12)13(14)15;/h2-5,10H,6-9H2,1H3,(H3,14,15);1H
InChIKeyVTNYEAXPPZEPCP-UHFFFAOYSA-N
XLogP1.87
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.87
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

3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxybenzenecarboximidamide
CID 112741333
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
2-cyclohexyloxy-3-methoxybenzenecarboximidamide
CID 82253454
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride (CID 82240674) is 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1OC1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride?
The InChIKey is VTNYEAXPPZEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-16-8-6-10(7-9-16)17-12-5-3-2-4-11(12)13(14)15;/h2-5,10H,6-9H2,1H3,(H3,14,15);1H.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride?
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).