N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide

C16H26N4O — CID 77031315

IUPACN'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide
SMILESCC(CNCc1ccccc1C(N)=NO)N1CCCCC1
InChIInChI=1S/C16H26N4O/c1-13(20-9-5-2-6-10-20)11-18-12-14-7-3-4-8-15(14)16(17)19-21/h3-4,7-8,13,18,21H,2,5-6,9-12H2,1H3,(H2,17,19)
InChIKeyYKSVZJXBFPMUPH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds6

About N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide

N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide (PubChem CID 77031315) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide
PubChem CID77031315
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide
SMILESCC(CNCc1ccccc1C(N)=NO)N1CCCCC1
InChIInChI=1S/C16H26N4O/c1-13(20-9-5-2-6-10-20)11-18-12-14-7-3-4-8-15(14)16(17)19-21/h3-4,7-8,13,18,21H,2,5-6,9-12H2,1H3,(H2,17,19)
InChIKeyYKSVZJXBFPMUPH-UHFFFAOYSA-N
XLogP1.75
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-methyl-4-[(2-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 114483025
3-chloro-N'-hydroxy-4-[(2-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 102667377
N'-hydroxy-2-[(2-hydroxybutylamino)methyl]benzenecarboximidamide
CID 113492257
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 61011125
N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N'-hydroxy-2-[[(1-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 77027428
2-[(but-3-yn-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 114417441
2-[[1-(2-chlorophenyl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031145
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide (CID 77031315) is N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide is CC(CNCc1ccccc1C(N)=NO)N1CCCCC1.
What is the InChIKey of N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide?
The InChIKey is YKSVZJXBFPMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(20-9-5-2-6-10-20)11-18-12-14-7-3-4-8-15(14)16(17)19-21/h3-4,7-8,13,18,21H,2,5-6,9-12H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide?
N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 77031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).