3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

C10H21N3O — CID 62937426

IUPAC3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1(C)CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O/c1-10(2)4-7-13(8-5-10)6-3-9(11)12-14/h14H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQMQQMXYCOPQXIV-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds3

About 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 62937426) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID62937426
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1(C)CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O/c1-10(2)4-7-13(8-5-10)6-3-9(11)12-14/h14H,3-8H2,1-2H3,(H2,11,12)
InChIKeyQMQQMXYCOPQXIV-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-3-(4-hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 81116052
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 76987380
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 24694035

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (CID 62937426) is 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is CC1(C)CCN(CC/C(N)=N/O)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is QMQQMXYCOPQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2)4-7-13(8-5-10)6-3-9(11)12-14/h14H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 62937426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).