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

C20H21N3S — CID 120909954

IUPAC1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
SMILESc1ccc(-c2csc(CN3CCNCC3c3ccncc3)c2)cc1
InChIInChI=1S/C20H21N3S/c1-2-4-16(5-3-1)18-12-19(24-15-18)14-23-11-10-22-13-20(23)17-6-8-21-9-7-17/h1-9,12,15,20,22H,10-11,13-14H2
InChIKeyRFDXZPYGFHTNGN-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.96
Rot. Bonds4

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

1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120909954) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
PubChem CID120909954
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
SMILESc1ccc(-c2csc(CN3CCNCC3c3ccncc3)c2)cc1
InChIInChI=1S/C20H21N3S/c1-2-4-16(5-3-1)18-12-19(24-15-18)14-23-11-10-22-13-20(23)17-6-8-21-9-7-17/h1-9,12,15,20,22H,10-11,13-14H2
InChIKeyRFDXZPYGFHTNGN-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910428
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
1-[(5-nitrothiophen-3-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120910824
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910679

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine (CID 120909954) is 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine is c1ccc(-c2csc(CN3CCNCC3c3ccncc3)c2)cc1.
What is the InChIKey of 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is RFDXZPYGFHTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-2-4-16(5-3-1)18-12-19(24-15-18)14-23-11-10-22-13-20(23)17-6-8-21-9-7-17/h1-9,12,15,20,22H,10-11,13-14H2.
What are the key properties of 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine?
1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 335.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120909954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).