1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione

C13H14BrNO2 — CID 101445164

IUPAC1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C13H14BrNO2/c14-11-7-3-2-6-10(11)12(16)13(17)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOKRAMJKLJVEPIH-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione

1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 101445164) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID101445164
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C13H14BrNO2/c14-11-7-3-2-6-10(11)12(16)13(17)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOKRAMJKLJVEPIH-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38460982
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
1-(azepan-1-yl)-2-pyridin-2-ylethane-1,2-dione
CID 101170127
1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
CID 82124728
2-(2-bromophenyl)-2-oxoacetate
CID 6999378

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione (CID 101445164) is 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is OKRAMJKLJVEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-11-7-3-2-6-10(11)12(16)13(17)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione?
1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 296.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 101445164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).