1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine

C14H17N3S — CID 763728

IUPAC1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccsc3)CC2)nc1
InChIInChI=1S/C14H17N3S/c1-2-5-15-14(3-1)17-8-6-16(7-9-17)11-13-4-10-18-12-13/h1-5,10,12H,6-9,11H2
InChIKeyJJZAYFRBTJFRPC-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.47
Rot. Bonds3

About 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine

1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 763728) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
PubChem CID763728
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccsc3)CC2)nc1
InChIInChI=1S/C14H17N3S/c1-2-5-15-14(3-1)17-8-6-16(7-9-17)11-13-4-10-18-12-13/h1-5,10,12H,6-9,11H2
InChIKeyJJZAYFRBTJFRPC-UHFFFAOYSA-N
XLogP2.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine (CID 763728) is 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine is c1ccc(N2CCN(Cc3ccsc3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is JJZAYFRBTJFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-5-15-14(3-1)17-8-6-16(7-9-17)11-13-4-10-18-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine?
1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 259.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 763728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).