1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine

C13H20BrNO — CID 142283549

IUPAC1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine
SMILESBrCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H20BrNO/c14-8-11-15-9-6-13(7-10-15)16-12-4-2-1-3-5-12/h2,4-5,13H,1,3,6-11H2
InChIKeyGRGOPGAGJAVVKZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine

1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine (PubChem CID 142283549) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine
PubChem CID142283549
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine
SMILESBrCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H20BrNO/c14-8-11-15-9-6-13(7-10-15)16-12-4-2-1-3-5-12/h2,4-5,13H,1,3,6-11H2
InChIKeyGRGOPGAGJAVVKZ-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-(3-Cyclohexa-1,5-dien-1-yloxypropyl)piperidin-4-ol
CID 22262780
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
4-(3-Methylcyclohexa-1,5-dien-1-yl)oxy-1-propan-2-ylpiperidine
CID 132108728
4-[(2E,4E,7E)-3-bromodeca-2,4,7-trien-4-yl]oxy-1-cyclopropylpiperidine
CID 134449707
2-(4-Cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol
CID 142283541
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine;ethane
CID 144279255
4-Cyclohepta-1,4,6-trien-1-yloxy-1-propylpiperidine
CID 145661193

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine?
The IUPAC name of 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine (CID 142283549) is 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine.
What is the SMILES notation for 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine?
The canonical SMILES for 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine is BrCCN1CCC(OC2=CCCC=C2)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine?
The InChIKey is GRGOPGAGJAVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c14-8-11-15-9-6-13(7-10-15)16-12-4-2-1-3-5-12/h2,4-5,13H,1,3,6-11H2.
What are the key properties of 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine?
1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine has a molecular weight of 286.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine is sourced from PubChem (CID 142283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).