(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C12H16ClNOS — CID 84576002

IUPAC(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-8-4-3-5-9(2)14(8)12(15)10-6-7-11(13)16-10/h6-9H,3-5H2,1-2H3
InChIKeyGFAWIHNBFLRALC-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.80
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 84576002) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID84576002
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-8-4-3-5-9(2)14(8)12(15)10-6-7-11(13)16-10/h6-9H,3-5H2,1-2H3
InChIKeyGFAWIHNBFLRALC-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 84576002) is (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is GFAWIHNBFLRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-8-4-3-5-9(2)14(8)12(15)10-6-7-11(13)16-10/h6-9H,3-5H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 257.79 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 84576002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).