N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide

C7H16N4O — CID 77054112

IUPACN'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide
SMILESNN=C(N)N1CCC(CO)CC1
InChIInChI=1S/C7H16N4O/c8-7(10-9)11-3-1-6(5-12)2-4-11/h6,12H,1-5,9H2,(H2,8,10)
InChIKeyMEOMNHNAXMKZGR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.12
Rot. Bonds1

About N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide

N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide (PubChem CID 77054112) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide
PubChem CID77054112
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide
SMILESNN=C(N)N1CCC(CO)CC1
InChIInChI=1S/C7H16N4O/c8-7(10-9)11-3-1-6(5-12)2-4-11/h6,12H,1-5,9H2,(H2,8,10)
InChIKeyMEOMNHNAXMKZGR-UHFFFAOYSA-N
XLogP-1.12
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide (CID 77054112) is N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide is NN=C(N)N1CCC(CO)CC1.
What is the InChIKey of N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide?
The InChIKey is MEOMNHNAXMKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c8-7(10-9)11-3-1-6(5-12)2-4-11/h6,12H,1-5,9H2,(H2,8,10).
What are the key properties of N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide?
N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(hydroxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 77054112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).