1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine

C15H19N3S — CID 783472

IUPAC1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H19N3S/c1-13-5-6-14(19-13)12-17-8-10-18(11-9-17)15-4-2-3-7-16-15/h2-7H,8-12H2,1H3
InChIKeyYLJZEAZWERJIQX-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.77
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 783472) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID783472
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C15H19N3S/c1-13-5-6-14(19-13)12-17-8-10-18(11-9-17)15-4-2-3-7-16-15/h2-7H,8-12H2,1H3
InChIKeyYLJZEAZWERJIQX-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 ≤ 500273.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methapyrilene
CID 4098
Thenyldiamine
CID 7066
Methapyrilene Hydrochloride
CID 8667
N1-((5-Chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 8993
Isothipendyl
CID 3781
Prothipendyl
CID 14670
Isothipendyl Hydrochloride
CID 14668
Thenyldiamine Hydrochloride
CID 24180707
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
2-(2-Thenylamino)pyridine
CID 67323
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 783472) is 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is Cc1ccc(CN2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is YLJZEAZWERJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-13-5-6-14(19-13)12-17-8-10-18(11-9-17)15-4-2-3-7-16-15/h2-7H,8-12H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 273.41 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-[(5-methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 783472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).