3-(4-propylpiperazin-1-yl)propyl cyanate

C11H21N3O — CID 71142898

IUPAC3-(4-propylpiperazin-1-yl)propyl cyanate
SMILESCCCN1CCN(CCCOC#N)CC1
InChIInChI=1S/C11H21N3O/c1-2-4-13-6-8-14(9-7-13)5-3-10-15-11-12/h2-10H2,1H3
InChIKeyQMOMYMAIXCQKRU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.90
Rot. Bonds6

About 3-(4-propylpiperazin-1-yl)propyl cyanate

3-(4-propylpiperazin-1-yl)propyl cyanate (PubChem CID 71142898) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)propyl cyanate.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)propyl cyanate
PubChem CID71142898
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(4-propylpiperazin-1-yl)propyl cyanate
SMILESCCCN1CCN(CCCOC#N)CC1
InChIInChI=1S/C11H21N3O/c1-2-4-13-6-8-14(9-7-13)5-3-10-15-11-12/h2-10H2,1H3
InChIKeyQMOMYMAIXCQKRU-UHFFFAOYSA-N
XLogP0.90
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-yl)propyl cyanate?
The IUPAC name of 3-(4-propylpiperazin-1-yl)propyl cyanate (CID 71142898) is 3-(4-propylpiperazin-1-yl)propyl cyanate.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)propyl cyanate?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)propyl cyanate is CCCN1CCN(CCCOC#N)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)propyl cyanate?
The InChIKey is QMOMYMAIXCQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-4-13-6-8-14(9-7-13)5-3-10-15-11-12/h2-10H2,1H3.
What are the key properties of 3-(4-propylpiperazin-1-yl)propyl cyanate?
3-(4-propylpiperazin-1-yl)propyl cyanate has a molecular weight of 211.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)propyl cyanate is sourced from PubChem (CID 71142898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).