N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide

C15H23N3O — CID 55050027

IUPACN'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-3-12-8-10-18(11-9-12)14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,2-3,8-11H2,1H3,(H2,16,17)
InChIKeyOONWIYQDQJCQSJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.80
Rot. Bonds4

About N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide

N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 55050027) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
PubChem CID55050027
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-3-12-8-10-18(11-9-12)14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,2-3,8-11H2,1H3,(H2,16,17)
InChIKeyOONWIYQDQJCQSJ-UHFFFAOYSA-N
XLogP2.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.80
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 43188193
4-(4-propylpiperidin-1-yl)phenol
CID 165358736
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 136914286
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
tert-butyl N-[[(3R)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pyrrolidin-3-yl]methyl]carbamate
CID 87734647
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide (CID 55050027) is N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide is CCCC1CCN(c2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is OONWIYQDQJCQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-12-8-10-18(11-9-12)14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,2-3,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 55050027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).