1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine

C14H20N2S — CID 79221731

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
SMILESCC1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C14H20N2S/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3
InChIKeyYXOOPEGYLBRKQC-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.17
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine (PubChem CID 79221731) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
PubChem CID79221731
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
SMILESCC1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C14H20N2S/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3
InChIKeyYXOOPEGYLBRKQC-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine (CID 79221731) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine is CC1CNCCN1CC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine?
The InChIKey is YXOOPEGYLBRKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11-8-15-6-7-16(11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,11-12,15H,6-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine is sourced from PubChem (CID 79221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).