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

C15H19N3S — CID 792508

IUPAC1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccsc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N3S/c1-13-5-11-19-14(13)12-17-7-9-18(10-8-17)15-4-2-3-6-16-15/h2-6,11H,7-10,12H2,1H3
InChIKeySIAQFVIRDNTJBR-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.77
Rot. Bonds3

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

1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 792508) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID792508
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccsc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N3S/c1-13-5-11-19-14(13)12-17-7-9-18(10-8-17)15-4-2-3-6-16-15/h2-6,11H,7-10,12H2,1H3
InChIKeySIAQFVIRDNTJBR-UHFFFAOYSA-N
XLogP2.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 792508) is 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is Cc1ccsc1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is SIAQFVIRDNTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-13-5-11-19-14(13)12-17-7-9-18(10-8-17)15-4-2-3-6-16-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 273.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 792508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).