6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine

C16H17NS — CID 54440475

IUPAC6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine
SMILESc1ccc(C(C2=NCCCC2)c2cccs2)cc1
InChIInChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,16H,4-5,9,11H2
InChIKeyWNSYRJYNSJDSLZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.50
Rot. Bonds3

About 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine

6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine (PubChem CID 54440475) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine
PubChem CID54440475
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine
SMILESc1ccc(C(C2=NCCCC2)c2cccs2)cc1
InChIInChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,16H,4-5,9,11H2
InChIKeyWNSYRJYNSJDSLZ-UHFFFAOYSA-N
XLogP4.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
1-(2-Thienyl)ethanone (diphenylmethylene)hydrazone
CID 5722573
4-[4-(Trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
CID 2739385
6,7,8,10,10a,11-hexahydro-5H-[1]benzothiolo[6,5-a]indolizin-9-ium
CID 397952
6,7,8,10,10a,11-hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium
CID 397954
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484483
4-(4-Fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 42773974
4-(3-Fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 46167952
7-[2-[4-(Trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine
CID 59820001
2-Methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-6,7-dihydro-thieno[3,2-c]pyridine
CID 59820012
4-(2,4-Difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 121383814
2-Fluoro-4-(2-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 138556092

Frequently Asked Questions

What is the IUPAC name of 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine (CID 54440475) is 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine is c1ccc(C(C2=NCCCC2)c2cccs2)cc1.
What is the InChIKey of 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is WNSYRJYNSJDSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,16H,4-5,9,11H2.
What are the key properties of 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine?
6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 255.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54440475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).