N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide

C15H23N3O2 — CID 102958325

IUPACN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
SMILESCC1CCN(CC(/C(N)=N/O)c2ccccc2)CC1O
InChIInChI=1S/C15H23N3O2/c1-11-7-8-18(10-14(11)19)9-13(15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17)
InChIKeyHUHUZMGUZCNGII-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds4

About N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide

N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide (PubChem CID 102958325) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
PubChem CID102958325
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
SMILESCC1CCN(CC(/C(N)=N/O)c2ccccc2)CC1O
InChIInChI=1S/C15H23N3O2/c1-11-7-8-18(10-14(11)19)9-13(15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17)
InChIKeyHUHUZMGUZCNGII-UHFFFAOYSA-N
XLogP1.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
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

3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
CID 77043598
1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
CID 102956090
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-phenylpropanethioamide
CID 79166415
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
CID 79188347
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide (CID 102958325) is N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide is CC1CCN(CC(/C(N)=N/O)c2ccccc2)CC1O.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide?
The InChIKey is HUHUZMGUZCNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-7-8-18(10-14(11)19)9-13(15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide?
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide is sourced from PubChem (CID 102958325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).