4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide

C12H25N7 — CID 123226101

IUPAC4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(N)CC1)N1CCC(N)CC1
InChIInChI=1S/C12H25N7/c13-9-1-5-18(6-2-9)11(15)17-12(16)19-7-3-10(14)4-8-19/h9-10H,1-8,13-14H2,(H3,15,16,17)
InChIKeyPXORHDVTMWOJLZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP-0.92
Rot. Bonds

About 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide

4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide (PubChem CID 123226101) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
PubChem CID123226101
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(N)CC1)N1CCC(N)CC1
InChIInChI=1S/C12H25N7/c13-9-1-5-18(6-2-9)11(15)17-12(16)19-7-3-10(14)4-8-19/h9-10H,1-8,13-14H2,(H3,15,16,17)
InChIKeyPXORHDVTMWOJLZ-UHFFFAOYSA-N
XLogP-0.92
TPSA120.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide?
The IUPAC name of 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide (CID 123226101) is 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide is [H]/N=C(/N=C(N)N1CCC(N)CC1)N1CCC(N)CC1.
What is the InChIKey of 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide?
The InChIKey is PXORHDVTMWOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7/c13-9-1-5-18(6-2-9)11(15)17-12(16)19-7-3-10(14)4-8-19/h9-10H,1-8,13-14H2,(H3,15,16,17).
What are the key properties of 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide?
4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide has a molecular weight of 267.38 g/mol, XLogP of -0.92, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide is sourced from PubChem (CID 123226101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).