4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride

C14H22ClNOS — CID 3072573

IUPAC4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCC1CCCN(CCCC(=O)c2cccs2)C1.Cl
InChIInChI=1S/C14H21NOS.ClH/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H
InChIKeyKQQFNXMFPZQZBP-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.86
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride

4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride (PubChem CID 3072573) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride
PubChem CID3072573
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCC1CCCN(CCCC(=O)c2cccs2)C1.Cl
InChIInChI=1S/C14H21NOS.ClH/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H
InChIKeyKQQFNXMFPZQZBP-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride (CID 3072573) is 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride is CC1CCCN(CCCC(=O)c2cccs2)C1.Cl.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride?
The InChIKey is KQQFNXMFPZQZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS.ClH/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14;/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3;1H.
What are the key properties of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride?
4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride has a molecular weight of 287.86 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 3072573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).