1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide

C17H22BrNOS — CID 3046059

IUPAC1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide
SMILESBr.O=C(CCCN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H21NOS.BrH/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17;/h2-3,7,9,13H,1,4-6,8,10-12H2;1H
InChIKeyQCKRRXGHZVDTSY-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.93
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide

1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide (PubChem CID 3046059) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide
PubChem CID3046059
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide
SMILESBr.O=C(CCCN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H21NOS.BrH/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17;/h2-3,7,9,13H,1,4-6,8,10-12H2;1H
InChIKeyQCKRRXGHZVDTSY-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide?
The IUPAC name of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide (CID 3046059) is 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide is Br.O=C(CCCN1CCCCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide?
The InChIKey is QCKRRXGHZVDTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS.BrH/c19-16(8-6-12-18-10-4-1-5-11-18)15-13-20-17-9-3-2-7-14(15)17;/h2-3,7,9,13H,1,4-6,8,10-12H2;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide?
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide has a molecular weight of 368.34 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one;hydrobromide is sourced from PubChem (CID 3046059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).