4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile

C11H20N4 — CID 164921964

IUPAC4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile
SMILESCN1CCC(N2CCN(C#N)CC2)CC1
InChIInChI=1S/C11H20N4/c1-13-4-2-11(3-5-13)15-8-6-14(10-12)7-9-15/h11H,2-9H2,1H3
InChIKeyMJJXIFBYCBIFIV-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.18
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile

4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile (PubChem CID 164921964) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile
PubChem CID164921964
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile
SMILESCN1CCC(N2CCN(C#N)CC2)CC1
InChIInChI=1S/C11H20N4/c1-13-4-2-11(3-5-13)15-8-6-14(10-12)7-9-15/h11H,2-9H2,1H3
InChIKeyMJJXIFBYCBIFIV-UHFFFAOYSA-N
XLogP0.18
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile 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 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile?
The IUPAC name of 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile (CID 164921964) is 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile is CN1CCC(N2CCN(C#N)CC2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile?
The InChIKey is MJJXIFBYCBIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-13-4-2-11(3-5-13)15-8-6-14(10-12)7-9-15/h11H,2-9H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile?
4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile has a molecular weight of 208.31 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)piperazine-1-carbonitrile is sourced from PubChem (CID 164921964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).