4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride

C13H20ClNOS — CID 3072571

IUPAC4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS.ClH/c15-12(13-7-5-11-16-13)6-4-10-14-8-2-1-3-9-14;/h5,7,11H,1-4,6,8-10H2;1H
InChIKeyVVXYFCZJJSJLFQ-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.62
Rot. Bonds5

About 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride

4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride (PubChem CID 3072571) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
PubChem CID3072571
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS.ClH/c15-12(13-7-5-11-16-13)6-4-10-14-8-2-1-3-9-14;/h5,7,11H,1-4,6,8-10H2;1H
InChIKeyVVXYFCZJJSJLFQ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The IUPAC name of 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride (CID 3072571) is 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The canonical SMILES for 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride is Cl.O=C(CCCN1CCCCC1)c1cccs1.
What is the InChIKey of 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The InChIKey is VVXYFCZJJSJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.ClH/c15-12(13-7-5-11-16-13)6-4-10-14-8-2-1-3-9-14;/h5,7,11H,1-4,6,8-10H2;1H.
What are the key properties of 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 3072571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).