(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

C17H18BrNOS — CID 110289447

IUPAC(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H18BrNOS/c18-15-5-3-14(4-6-15)17(20)19-9-7-13(8-10-19)12-16-2-1-11-21-16/h1-6,11,13H,7-10,12H2
InChIKeySTEWSPFYYFYTNL-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.61
Rot. Bonds3

About (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110289447) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID110289447
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H18BrNOS/c18-15-5-3-14(4-6-15)17(20)19-9-7-13(8-10-19)12-16-2-1-11-21-16/h1-6,11,13H,7-10,12H2
InChIKeySTEWSPFYYFYTNL-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (CID 110289447) is (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is STEWSPFYYFYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c18-15-5-3-14(4-6-15)17(20)19-9-7-13(8-10-19)12-16-2-1-11-21-16/h1-6,11,13H,7-10,12H2.
What are the key properties of (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 364.31 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).