N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide

C17H27N3O — CID 77043598

IUPACN'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
SMILESCCCC1CCN(CC(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-6-14-9-11-20(12-10-14)13-16(17(18)19-21)15-7-4-3-5-8-15/h3-5,7-8,14,16,21H,2,6,9-13H2,1H3,(H2,18,19)
InChIKeyWQOMFYIGUGYXMU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds6

About N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide

N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide (PubChem CID 77043598) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
PubChem CID77043598
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
SMILESCCCC1CCN(CC(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-6-14-9-11-20(12-10-14)13-16(17(18)19-21)15-7-4-3-5-8-15/h3-5,7-8,14,16,21H,2,6,9-13H2,1H3,(H2,18,19)
InChIKeyWQOMFYIGUGYXMU-UHFFFAOYSA-N
XLogP3.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.03
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-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide (CID 77043598) is N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide is CCCC1CCN(CC(C(N)=NO)c2ccccc2)CC1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide?
The InChIKey is WQOMFYIGUGYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-14-9-11-20(12-10-14)13-16(17(18)19-21)15-7-4-3-5-8-15/h3-5,7-8,14,16,21H,2,6,9-13H2,1H3,(H2,18,19).
What are the key properties of N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide?
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 77043598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).