2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide

C15H24N4O — CID 154935470

IUPAC2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(CCC2CCCCN2C)cccc1NO
InChIInChI=1S/C15H24N4O/c1-19-10-3-2-6-12(19)9-8-11-5-4-7-13(18-20)14(11)15(16)17/h4-5,7,12,18,20H,2-3,6,8-10H2,1H3,(H3,16,17)
InChIKeyLDCFGGQMOXGXIX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds5

About 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide

2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide (PubChem CID 154935470) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide
PubChem CID154935470
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(CCC2CCCCN2C)cccc1NO
InChIInChI=1S/C15H24N4O/c1-19-10-3-2-6-12(19)9-8-11-5-4-7-13(18-20)14(11)15(16)17/h4-5,7,12,18,20H,2-3,6,8-10H2,1H3,(H3,16,17)
InChIKeyLDCFGGQMOXGXIX-UHFFFAOYSA-N
XLogP2.19
TPSA85.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
1-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]-3-phenylthiourea
CID 13193105
2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenol
CID 153351940
4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
CID 20560119
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid
CID 146175407
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
2-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114883654

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide?
The IUPAC name of 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide (CID 154935470) is 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide.
What is the SMILES notation for 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide?
The canonical SMILES for 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide is [H]/N=C(\N)c1c(CCC2CCCCN2C)cccc1NO.
What is the InChIKey of 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide?
The InChIKey is LDCFGGQMOXGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-10-3-2-6-12(19)9-8-11-5-4-7-13(18-20)14(11)15(16)17/h4-5,7,12,18,20H,2-3,6,8-10H2,1H3,(H3,16,17).
What are the key properties of 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide?
2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 154935470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).