1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine

C15H20N2S — CID 164942350

IUPAC1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine
SMILESCC(C)c1cc2cc(N3CCNCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-11(2)15-10-12-9-13(3-4-14(12)18-15)17-7-5-16-6-8-17/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyUEQCTNHTRKXSTL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine

1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine (PubChem CID 164942350) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine
PubChem CID164942350
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine
SMILESCC(C)c1cc2cc(N3CCNCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-11(2)15-10-12-9-13(3-4-14(12)18-15)17-7-5-16-6-8-17/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyUEQCTNHTRKXSTL-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-propan-2-yl-1-benzothiophen-5-yl)piperidine
CID 164942311
1-(1-benzothiophen-5-yl)-1,4-diazepane
CID 65451922
6-piperazin-1-yl-2-propan-2-ylisoquinolin-1-one
CID 117099788
1-(5-tert-butyl-1-benzothiophen-2-yl)piperazine
CID 164933861
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(5-methoxy-1-benzothiophen-2-yl)piperazine
CID 82623074
6-piperazin-1-yl-1,2-benzothiazole
CID 82615929
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
4-methyl-6-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 82231560
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine?
The IUPAC name of 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine (CID 164942350) is 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine.
What is the SMILES notation for 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine?
The canonical SMILES for 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine is CC(C)c1cc2cc(N3CCNCC3)ccc2s1.
What is the InChIKey of 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine?
The InChIKey is UEQCTNHTRKXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)15-10-12-9-13(3-4-14(12)18-15)17-7-5-16-6-8-17/h3-4,9-11,16H,5-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine?
1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine has a molecular weight of 260.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1-benzothiophen-5-yl)piperazine is sourced from PubChem (CID 164942350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).