1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine

C16H17NS — CID 59628497

IUPAC1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2cccs2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H17NS/c1-2-5-14(6-3-1)13-17-10-8-15(9-11-17)16-7-4-12-18-16/h1-8,12H,9-11,13H2
InChIKeyHEXUBIGXEBPECI-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.04
Rot. Bonds3

About 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine

1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 59628497) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
PubChem CID59628497
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2cccs2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H17NS/c1-2-5-14(6-3-1)13-17-10-8-15(9-11-17)16-7-4-12-18-16/h1-8,12H,9-11,13H2
InChIKeyHEXUBIGXEBPECI-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-5-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridine
CID 57258124
4-methyl-2-[(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
CID 97054987
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine
CID 57217093
N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride
CID 67656933
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
CID 23435960
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
CID 86242127
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 749986
2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2824517

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine (CID 59628497) is 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine is C1=C(c2cccs2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is HEXUBIGXEBPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-2-5-14(6-3-1)13-17-10-8-15(9-11-17)16-7-4-12-18-16/h1-8,12H,9-11,13H2.
What are the key properties of 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine?
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 255.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).