1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine

C19H21N3S — CID 2813103

IUPAC1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1c(CN2CCN(c3ccccn3)CC2)sc2ccccc12
InChIInChI=1S/C19H21N3S/c1-15-16-6-2-3-7-17(16)23-18(15)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h2-9H,10-14H2,1H3
InChIKeyUOJYWJPTXJAVFE-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.93
Rot. Bonds3

About 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 2813103) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID2813103
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1c(CN2CCN(c3ccccn3)CC2)sc2ccccc12
InChIInChI=1S/C19H21N3S/c1-15-16-6-2-3-7-17(16)23-18(15)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h2-9H,10-14H2,1H3
InChIKeyUOJYWJPTXJAVFE-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 2813103) is 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is Cc1c(CN2CCN(c3ccccn3)CC2)sc2ccccc12.
What is the InChIKey of 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UOJYWJPTXJAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-15-16-6-2-3-7-17(16)23-18(15)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 323.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2813103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).