N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide

C14H21N3O — CID 134893030

IUPACN'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide
SMILESCN(C)/C(=N\O)c1ccccc1N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-16(2)14(15-18)12-8-4-5-9-13(12)17-10-6-3-7-11-17/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3/b15-14-
InChIKeyOFHFEELHYJLRDF-PFONDFGASA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds2

About N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide

N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide (PubChem CID 134893030) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide
PubChem CID134893030
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide
SMILESCN(C)/C(=N\O)c1ccccc1N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-16(2)14(15-18)12-8-4-5-9-13(12)17-10-6-3-7-11-17/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3/b15-14-
InChIKeyOFHFEELHYJLRDF-PFONDFGASA-N
XLogP2.37
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide (CID 134893030) is N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide is CN(C)/C(=N\O)c1ccccc1N1CCCCC1.
What is the InChIKey of N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide?
The InChIKey is OFHFEELHYJLRDF-PFONDFGASA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(15-18)12-8-4-5-9-13(12)17-10-6-3-7-11-17/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3/b15-14-.
What are the key properties of N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide?
N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N,N-dimethyl-2-piperidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 134893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).