N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine

C16H18N2S — CID 961227

IUPACN-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccc(N2CCCCC2)cc1)\c1cccs1
InChIInChI=1S/C16H18N2S/c1-2-10-18(11-3-1)15-8-6-14(7-9-15)17-13-16-5-4-12-19-16/h4-9,12-13H,1-3,10-11H2/b17-13+
InChIKeyJDLYEHJWZVXKTM-GHRIWEEISA-N
MW270.40 g/mol
LogP4.49
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine

N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 961227) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
PubChem CID961227
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1ccc(N2CCCCC2)cc1)\c1cccs1
InChIInChI=1S/C16H18N2S/c1-2-10-18(11-3-1)15-8-6-14(7-9-15)17-13-16-5-4-12-19-16/h4-9,12-13H,1-3,10-11H2/b17-13+
InChIKeyJDLYEHJWZVXKTM-GHRIWEEISA-N
XLogP4.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine (CID 961227) is N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine is C(=N/c1ccc(N2CCCCC2)cc1)\c1cccs1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is JDLYEHJWZVXKTM-GHRIWEEISA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-10-18(11-3-1)15-8-6-14(7-9-15)17-13-16-5-4-12-19-16/h4-9,12-13H,1-3,10-11H2/b17-13+.
What are the key properties of N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine?
N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 270.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 961227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).