1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine

C17H24N2S — CID 171290243

IUPAC1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H24N2S/c1-17(2,3)16(19-10-8-18-9-11-19)14-12-20-15-7-5-4-6-13(14)15/h4-7,12,16,18H,8-11H2,1-3H3/t16-/m0/s1
InChIKeyNPNFNZAAPORDNH-INIZCTEOSA-N
MW288.46 g/mol
LogP3.89
Rot. Bonds2

About 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine

1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine (PubChem CID 171290243) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
PubChem CID171290243
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H24N2S/c1-17(2,3)16(19-10-8-18-9-11-19)14-12-20-15-7-5-4-6-13(14)15/h4-7,12,16,18H,8-11H2,1-3H3/t16-/m0/s1
InChIKeyNPNFNZAAPORDNH-INIZCTEOSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
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-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959
(3R)-3-(1-benzothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306801
1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]-1,4-diazepane
CID 5113669
1-[(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171277623
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
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-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine (CID 171290243) is 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine is CC(C)(C)[C@H](c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine?
The InChIKey is NPNFNZAAPORDNH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2S/c1-17(2,3)16(19-10-8-18-9-11-19)14-12-20-15-7-5-4-6-13(14)15/h4-7,12,16,18H,8-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine?
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine has a molecular weight of 288.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 171290243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).