2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol

C16H21N3OS — CID 71783414

IUPAC2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol
SMILESOC(CN1CCN(Cc2cccnc2)CC1)c1cccs1
InChIInChI=1S/C16H21N3OS/c20-15(16-4-2-10-21-16)13-19-8-6-18(7-9-19)12-14-3-1-5-17-11-14/h1-5,10-11,15,20H,6-9,12-13H2
InChIKeyZPAKXWUIZUOWSR-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol

2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol (PubChem CID 71783414) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol
PubChem CID71783414
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol
SMILESOC(CN1CCN(Cc2cccnc2)CC1)c1cccs1
InChIInChI=1S/C16H21N3OS/c20-15(16-4-2-10-21-16)13-19-8-6-18(7-9-19)12-14-3-1-5-17-11-14/h1-5,10-11,15,20H,6-9,12-13H2
InChIKeyZPAKXWUIZUOWSR-UHFFFAOYSA-N
XLogP1.99
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol (CID 71783414) is 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol is OC(CN1CCN(Cc2cccnc2)CC1)c1cccs1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The InChIKey is ZPAKXWUIZUOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-15(16-4-2-10-21-16)13-19-8-6-18(7-9-19)12-14-3-1-5-17-11-14/h1-5,10-11,15,20H,6-9,12-13H2.
What are the key properties of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol has a molecular weight of 303.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 71783414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).