3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine

C16H22N2S — CID 79223714

IUPAC3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCNC(C3CC3)C1)S2
InChIInChI=1S/C16H22N2S/c1-2-4-16-13(3-1)9-14(19-16)10-18-8-7-17-15(11-18)12-5-6-12/h1-4,12,14-15,17H,5-11H2
InChIKeyAKXAFRNKEGTVLQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.39
Rot. Bonds3

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

3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine (PubChem CID 79223714) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
PubChem CID79223714
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCNC(C3CC3)C1)S2
InChIInChI=1S/C16H22N2S/c1-2-4-16-13(3-1)9-14(19-16)10-18-8-7-17-15(11-18)12-5-6-12/h1-4,12,14-15,17H,5-11H2
InChIKeyAKXAFRNKEGTVLQ-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 79224356
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
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)-3,3-dimethylpiperazine
CID 79224349
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-pyrrolidin-2-ylpiperidine
CID 79228410
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79311786
3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79737349
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 79312215
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 79315166

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine (CID 79223714) is 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine is c1ccc2c(c1)CC(CN1CCNC(C3CC3)C1)S2.
What is the InChIKey of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
The InChIKey is AKXAFRNKEGTVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-4-16-13(3-1)9-14(19-16)10-18-8-7-17-15(11-18)12-5-6-12/h1-4,12,14-15,17H,5-11H2.
What are the key properties of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine?
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 79223714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).