(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol

C19H23NOS — CID 6438265

IUPAC(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol
SMILESOC(/C=C(\c1ccccc1)c1cccs1)CN1CCCCC1
InChIInChI=1S/C19H23NOS/c21-17(15-20-11-5-2-6-12-20)14-18(19-10-7-13-22-19)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,17,21H,2,5-6,11-12,15H2/b18-14+
InChIKeyVTSFJHOLRGPNAJ-NBVRZTHBSA-N
MW313.47 g/mol
LogP4.03
Rot. Bonds5

About (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol

(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol (PubChem CID 6438265) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol
PubChem CID6438265
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol
SMILESOC(/C=C(\c1ccccc1)c1cccs1)CN1CCCCC1
InChIInChI=1S/C19H23NOS/c21-17(15-20-11-5-2-6-12-20)14-18(19-10-7-13-22-19)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,17,21H,2,5-6,11-12,15H2/b18-14+
InChIKeyVTSFJHOLRGPNAJ-NBVRZTHBSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol?
The IUPAC name of (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol (CID 6438265) is (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol?
The canonical SMILES for (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol is OC(/C=C(\c1ccccc1)c1cccs1)CN1CCCCC1.
What is the InChIKey of (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol?
The InChIKey is VTSFJHOLRGPNAJ-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H23NOS/c21-17(15-20-11-5-2-6-12-20)14-18(19-10-7-13-22-19)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,17,21H,2,5-6,11-12,15H2/b18-14+.
What are the key properties of (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol?
(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol has a molecular weight of 313.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol is sourced from PubChem (CID 6438265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).