1-(cyclohexylmethyl)-4-methanidylpiperazine

C12H23N2- — CID 20723151

IUPAC1-(cyclohexylmethyl)-4-methanidylpiperazine
SMILES[CH2-]N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H23N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h12H,1-11H2/q-1
InChIKeyZUZKDYAPVVHBLT-UHFFFAOYSA-N
MW195.33 g/mol
LogP1.98
Rot. Bonds2

About 1-(cyclohexylmethyl)-4-methanidylpiperazine

1-(cyclohexylmethyl)-4-methanidylpiperazine (PubChem CID 20723151) has the molecular formula C12H23N2- and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methanidylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methanidylpiperazine
PubChem CID20723151
Molecular FormulaC12H23N2-
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Name1-(cyclohexylmethyl)-4-methanidylpiperazine
SMILES[CH2-]N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H23N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h12H,1-11H2/q-1
InChIKeyZUZKDYAPVVHBLT-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methanidylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-methanidylpiperazine (CID 20723151) is 1-(cyclohexylmethyl)-4-methanidylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methanidylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methanidylpiperazine is [CH2-]N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methanidylpiperazine?
The InChIKey is ZUZKDYAPVVHBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h12H,1-11H2/q-1.
What are the key properties of 1-(cyclohexylmethyl)-4-methanidylpiperazine?
1-(cyclohexylmethyl)-4-methanidylpiperazine has a molecular weight of 195.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methanidylpiperazine is sourced from PubChem (CID 20723151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).