N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine

C11H17N3S — CID 171715999

IUPACN-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/CCN1CCNCC1)\c1cccs1
InChIInChI=1S/C11H17N3S/c1-2-11(15-9-1)10-13-5-8-14-6-3-12-4-7-14/h1-2,9-10,12H,3-8H2/b13-10+
InChIKeyXCTDNQHXRYEFPW-JLHYYAGUSA-N
MW223.34 g/mol
LogP1.07
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine

N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine (PubChem CID 171715999) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine
PubChem CID171715999
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/CCN1CCNCC1)\c1cccs1
InChIInChI=1S/C11H17N3S/c1-2-11(15-9-1)10-13-5-8-14-6-3-12-4-7-14/h1-2,9-10,12H,3-8H2/b13-10+
InChIKeyXCTDNQHXRYEFPW-JLHYYAGUSA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine (CID 171715999) is N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine is C(=N/CCN1CCNCC1)\c1cccs1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine?
The InChIKey is XCTDNQHXRYEFPW-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-11(15-9-1)10-13-5-8-14-6-3-12-4-7-14/h1-2,9-10,12H,3-8H2/b13-10+.
What are the key properties of N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine?
N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine has a molecular weight of 223.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 171715999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).