3-(hydroxymethyl)piperidine-1-carboximidamide

C7H15N3O — CID 19080875

IUPAC3-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CO)C1
InChIInChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)
InChIKeyYEVFLUKQHJTSMN-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.42
Rot. Bonds1

About 3-(hydroxymethyl)piperidine-1-carboximidamide

3-(hydroxymethyl)piperidine-1-carboximidamide (PubChem CID 19080875) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(hydroxymethyl)piperidine-1-carboximidamide
PubChem CID19080875
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(hydroxymethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CO)C1
InChIInChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)
InChIKeyYEVFLUKQHJTSMN-UHFFFAOYSA-N
XLogP-0.42
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(hydroxymethyl)piperidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(hydroxymethyl)piperidine-1-carboximidamide (CID 19080875) is 3-(hydroxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(hydroxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(hydroxymethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)piperidine-1-carboximidamide?
The InChIKey is YEVFLUKQHJTSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9).
What are the key properties of 3-(hydroxymethyl)piperidine-1-carboximidamide?
3-(hydroxymethyl)piperidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 19080875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).