4-(2-aminoethyl)piperidine-1-carboximidamide

C8H18N4 — CID 22257598

IUPAC4-(2-aminoethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCN)CC1
InChIInChI=1S/C8H18N4/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6,9H2,(H3,10,11)
InChIKeyDTJLHILQBNJSAY-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.06
Rot. Bonds2

About 4-(2-aminoethyl)piperidine-1-carboximidamide

4-(2-aminoethyl)piperidine-1-carboximidamide (PubChem CID 22257598) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-aminoethyl)piperidine-1-carboximidamide
PubChem CID22257598
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name4-(2-aminoethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CCN)CC1
InChIInChI=1S/C8H18N4/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6,9H2,(H3,10,11)
InChIKeyDTJLHILQBNJSAY-UHFFFAOYSA-N
XLogP-0.06
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(2-aminoethyl)piperidine-1-carboximidamide (CID 22257598) is 4-(2-aminoethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(2-aminoethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(2-aminoethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)piperidine-1-carboximidamide?
The InChIKey is DTJLHILQBNJSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c9-4-1-7-2-5-12(6-3-7)8(10)11/h7H,1-6,9H2,(H3,10,11).
What are the key properties of 4-(2-aminoethyl)piperidine-1-carboximidamide?
4-(2-aminoethyl)piperidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 22257598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).