1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine

C18H26N2S — CID 79311786

IUPAC1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCN(C3CCCC3)CC1)S2
InChIInChI=1S/C18H26N2S/c1-4-8-18-15(5-1)13-17(21-18)14-19-9-11-20(12-10-19)16-6-2-3-7-16/h1,4-5,8,16-17H,2-3,6-7,9-14H2
InChIKeySHEAEWXLQXSRDJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.26
Rot. Bonds3

About 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine

1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine (PubChem CID 79311786) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
PubChem CID79311786
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCN(C3CCCC3)CC1)S2
InChIInChI=1S/C18H26N2S/c1-4-8-18-15(5-1)13-17(21-18)14-19-9-11-20(12-10-19)16-6-2-3-7-16/h1,4-5,8,16-17H,2-3,6-7,9-14H2
InChIKeySHEAEWXLQXSRDJ-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943759
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 79312215
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 79223787
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 79315166

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine (CID 79311786) is 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine is c1ccc2c(c1)CC(CN1CCN(C3CCCC3)CC1)S2.
What is the InChIKey of 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The InChIKey is SHEAEWXLQXSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-8-18-15(5-1)13-17(21-18)14-19-9-11-20(12-10-19)16-6-2-3-7-16/h1,4-5,8,16-17H,2-3,6-7,9-14H2.
What are the key properties of 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine has a molecular weight of 302.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 79311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).