(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone

C13H16BrNO — CID 2839181

IUPAC(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKeyJONHPMAFVHSTQD-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.46
Rot. Bonds1

About (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone

(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 2839181) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID2839181
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKeyJONHPMAFVHSTQD-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone (CID 2839181) is (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is JONHPMAFVHSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9H2,1H3.
What are the key properties of (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone?
(4-bromophenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 282.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2839181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).