3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide

C9H19N3O — CID 43368002

IUPAC3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)6-12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyZMHIIOHWDCBLBO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide

3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide (PubChem CID 43368002) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
PubChem CID43368002
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(O)CC1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)6-12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyZMHIIOHWDCBLBO-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-Trifluoro-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808179
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
CID 145380264
2-Imino-1-methylpiperidin-4-ol
CID 149848535
[N-(4-hydroxypiperidine-1-carboximidoyl)-C-propan-2-ylcarbonimidoyl]oxidanium
CID 164061209
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
4-(4-Hydroxypiperidin-1-yl)butanimidamide
CID 24699078

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide (CID 43368002) is 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The InChIKey is ZMHIIOHWDCBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)6-12-4-2-8(13)3-5-12/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 43368002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).