3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide

C9H19N3O — CID 43133191

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CO)CC1
InChIInChI=1S/C9H19N3O/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h8,13H,1-7H2,(H3,10,11)
InChIKeyXGJGMSMUMAIDBQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds4

About 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide

3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide (PubChem CID 43133191) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
PubChem CID43133191
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CO)CC1
InChIInChI=1S/C9H19N3O/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h8,13H,1-7H2,(H3,10,11)
InChIKeyXGJGMSMUMAIDBQ-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-Trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-Trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227653
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
1-(2-Hydroxyethyl)piperidine-4-carboximidamide
CID 144816606
4-Amino-1-(2-iminopiperidin-1-yl)butan-1-ol
CID 174336790
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide (CID 43133191) is 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The InChIKey is XGJGMSMUMAIDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h8,13H,1-7H2,(H3,10,11).
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide is sourced from PubChem (CID 43133191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).