3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

C15H22N2S — CID 64953584

IUPAC3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESc1cc2c(s1)CCCC2N1CCNC(C2CC2)C1
InChIInChI=1S/C15H22N2S/c1-2-14(12-6-9-18-15(12)3-1)17-8-7-16-13(10-17)11-4-5-11/h6,9,11,13-14,16H,1-5,7-8,10H2
InChIKeyHFBJNVVRKJAXDE-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.81
Rot. Bonds2

About 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (PubChem CID 64953584) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
PubChem CID64953584
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESc1cc2c(s1)CCCC2N1CCNC(C2CC2)C1
InChIInChI=1S/C15H22N2S/c1-2-14(12-6-9-18-15(12)3-1)17-8-7-16-13(10-17)11-4-5-11/h6,9,11,13-14,16H,1-5,7-8,10H2
InChIKeyHFBJNVVRKJAXDE-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,7aS)-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678811
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 62840592
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)azetidin-3-yl]oxidanium
CID 142063120
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-2-carboxylic acid
CID 65067115
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-4-carboxylic acid
CID 114278739
(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
CID 129015917
2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64937414
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dihydroisoindol-5-amine
CID 62842813
N,4-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 115303898
(1S)-5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-diene
CID 97102708
5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-diene
CID 71777791

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (CID 64953584) is 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is c1cc2c(s1)CCCC2N1CCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The InChIKey is HFBJNVVRKJAXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-14(12-6-9-18-15(12)3-1)17-8-7-16-13(10-17)11-4-5-11/h6,9,11,13-14,16H,1-5,7-8,10H2.
What are the key properties of 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is sourced from PubChem (CID 64953584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).