1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine

C19H21N3S — CID 3621959

IUPAC1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H21N3S/c1-14-12-21-7-6-15(14)19(22-10-8-20-9-11-22)17-13-23-18-5-3-2-4-16(17)18/h2-7,12-13,19-20H,8-11H2,1H3
InChIKeyRKYJUXOWIRXKCL-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine

1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine (PubChem CID 3621959) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
PubChem CID3621959
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C19H21N3S/c1-14-12-21-7-6-15(14)19(22-10-8-20-9-11-22)17-13-23-18-5-3-2-4-16(17)18/h2-7,12-13,19-20H,8-11H2,1H3
InChIKeyRKYJUXOWIRXKCL-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]-1,4-diazepane
CID 5113669
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
CID 171290243
1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 5193096
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3909060
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
2-(1-benzothiophen-3-yl)-2-piperazin-1-ylacetic acid
CID 62699815
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923
1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4669160

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine (CID 3621959) is 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine is Cc1cnccc1C(c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine?
The InChIKey is RKYJUXOWIRXKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-12-21-7-6-15(14)19(22-10-8-20-9-11-22)17-13-23-18-5-3-2-4-16(17)18/h2-7,12-13,19-20H,8-11H2,1H3.
What are the key properties of 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine?
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine has a molecular weight of 323.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 3621959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).