4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide

C10H21N3O — CID 43133190

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c11-10(12)2-1-5-13-6-3-9(8-14)4-7-13/h9,14H,1-8H2,(H3,11,12)
InChIKeyCQRSUSFFEHAIDH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds5

About 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide

4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 43133190) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
PubChem CID43133190
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c11-10(12)2-1-5-13-6-3-9(8-14)4-7-13/h9,14H,1-8H2,(H3,11,12)
InChIKeyCQRSUSFFEHAIDH-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.41
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'}

Analyze 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[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
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
(1-Ethanimidoylpiperidin-4-yl)methanediol
CID 142132193
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide (CID 43133190) is 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CCC(CO)CC1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is CQRSUSFFEHAIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-10(12)2-1-5-13-6-3-9(8-14)4-7-13/h9,14H,1-8H2,(H3,11,12).
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide?
4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 43133190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).