1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine

C11H19N5 — CID 88720245

IUPAC1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine
SMILESN#CN(CC1CCNCC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H19N5/c12-8-16(11(13)15-10-1-2-10)7-9-3-5-14-6-4-9/h9-10,14H,1-7H2,(H2,13,15)
InChIKeyVYZHGTRLCCLREJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.25
Rot. Bonds3

About 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine

1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine (PubChem CID 88720245) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine
PubChem CID88720245
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine
SMILESN#CN(CC1CCNCC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H19N5/c12-8-16(11(13)15-10-1-2-10)7-9-3-5-14-6-4-9/h9-10,14H,1-7H2,(H2,13,15)
InChIKeyVYZHGTRLCCLREJ-UHFFFAOYSA-N
XLogP0.25
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine?
The IUPAC name of 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine (CID 88720245) is 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine?
The canonical SMILES for 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine is N#CN(CC1CCNCC1)/C(N)=N/C1CC1.
What is the InChIKey of 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine?
The InChIKey is VYZHGTRLCCLREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-8-16(11(13)15-10-1-2-10)7-9-3-5-14-6-4-9/h9-10,14H,1-7H2,(H2,13,15).
What are the key properties of 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine?
1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine has a molecular weight of 221.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-cyclopropyl-1-(piperidin-4-ylmethyl)guanidine is sourced from PubChem (CID 88720245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).