(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide

C7H16N4 — CID 45088464

IUPAC(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C7H16N4/c1-5-3-11(7(8)9)4-6(2)10-5/h5-6,10H,3-4H2,1-2H3,(H3,8,9)/t5-,6+
InChIKeyODGSIRUOMGFREO-OLQVQODUSA-N
MW156.23 g/mol
LogP-0.44
Rot. Bonds

About (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide

(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide (PubChem CID 45088464) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
PubChem CID45088464
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C7H16N4/c1-5-3-11(7(8)9)4-6(2)10-5/h5-6,10H,3-4H2,1-2H3,(H3,8,9)/t5-,6+
InChIKeyODGSIRUOMGFREO-OLQVQODUSA-N
XLogP-0.44
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.44
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 (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide?
The IUPAC name of (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide (CID 45088464) is (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide.
What is the SMILES notation for (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide?
The canonical SMILES for (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide is [H]/N=C(\N)N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide?
The InChIKey is ODGSIRUOMGFREO-OLQVQODUSA-N. The full InChI is InChI=1S/C7H16N4/c1-5-3-11(7(8)9)4-6(2)10-5/h5-6,10H,3-4H2,1-2H3,(H3,8,9)/t5-,6+.
What are the key properties of (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide?
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of -0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 45088464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).