1-(1-thiophen-3-ylethyl)piperidin-2-imine

C11H16N2S — CID 62842256

IUPAC1-(1-thiophen-3-ylethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)c1ccsc1
InChIInChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-6-3-2-4-11(13)12/h5,7-9,12H,2-4,6H2,1H3/b12-11+
InChIKeyMSNBXQKIOILYES-VAWYXSNFSA-N
MW208.33 g/mol
LogP3.27
Rot. Bonds2

About 1-(1-thiophen-3-ylethyl)piperidin-2-imine

1-(1-thiophen-3-ylethyl)piperidin-2-imine (PubChem CID 62842256) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)piperidin-2-imine
PubChem CID62842256
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(1-thiophen-3-ylethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)c1ccsc1
InChIInChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-6-3-2-4-11(13)12/h5,7-9,12H,2-4,6H2,1H3/b12-11+
InChIKeyMSNBXQKIOILYES-VAWYXSNFSA-N
XLogP3.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(1-thiophen-3-ylethyl)piperidin-2-imine?
The IUPAC name of 1-(1-thiophen-3-ylethyl)piperidin-2-imine (CID 62842256) is 1-(1-thiophen-3-ylethyl)piperidin-2-imine.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)piperidin-2-imine?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)piperidin-2-imine is [H]/N=C1\CCCCN1C(C)c1ccsc1.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)piperidin-2-imine?
The InChIKey is MSNBXQKIOILYES-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-6-3-2-4-11(13)12/h5,7-9,12H,2-4,6H2,1H3/b12-11+.
What are the key properties of 1-(1-thiophen-3-ylethyl)piperidin-2-imine?
1-(1-thiophen-3-ylethyl)piperidin-2-imine has a molecular weight of 208.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)piperidin-2-imine is sourced from PubChem (CID 62842256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).