2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

C10H21N3O — CID 76981202

IUPAC2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCC(C)(C)CC1
InChIInChI=1S/C10H21N3O/c1-8(9(11)12-14)13-6-4-10(2,3)5-7-13/h8,14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyZNNSEWIYTFGCII-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 76981202) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID76981202
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCC(C)(C)CC1
InChIInChI=1S/C10H21N3O/c1-8(9(11)12-14)13-6-4-10(2,3)5-7-13/h8,14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyZNNSEWIYTFGCII-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.24
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-2-(2-methylpiperidin-1-yl)ethanimidamide
CID 24697492
N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide
CID 24697862
Piperidinopropioamidoxime
CID 76175176
Piperidinopropionamidoxime hydro chloride
CID 129771910
e-Piperidinopropioamidoxime
CID 129771937
N'-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 77073353
N'-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 77073354
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 80693909
2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 81106497
(Z)-2-(4-(fluoromethyl)-4-methylpiperidin-1-yl)-N'-hydroxyacetimidamide
CID 121203178
2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502279
(1E)-N'-Hydroxy(1-methylpiperidin-4-yl)ethanimidamide
CID 46318391

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (CID 76981202) is 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is ZNNSEWIYTFGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(9(11)12-14)13-6-4-10(2,3)5-7-13/h8,14H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76981202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).