1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]

C15H22BrNO — CID 142283385

IUPAC1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
SMILESBrCCN1CCC2(CCC3=CCCC=C3O2)CC1
InChIInChI=1S/C15H22BrNO/c16-9-12-17-10-7-15(8-11-17)6-5-13-3-1-2-4-14(13)18-15/h3-4H,1-2,5-12H2
InChIKeyWRIGBVUCUWPYCY-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.63
Rot. Bonds2

About 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]

1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] (PubChem CID 142283385) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
PubChem CID142283385
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
SMILESBrCCN1CCC2(CCC3=CCCC=C3O2)CC1
InChIInChI=1S/C15H22BrNO/c16-9-12-17-10-7-15(8-11-17)6-5-13-3-1-2-4-14(13)18-15/h3-4H,1-2,5-12H2
InChIKeyWRIGBVUCUWPYCY-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.63
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

Spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
CID 142283443
2-Spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]-1'-ylethanol
CID 142283504

Frequently Asked Questions

What is the IUPAC name of 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] (CID 142283385) is 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] is BrCCN1CCC2(CCC3=CCCC=C3O2)CC1.
What is the InChIKey of 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The InChIKey is WRIGBVUCUWPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-9-12-17-10-7-15(8-11-17)6-5-13-3-1-2-4-14(13)18-15/h3-4H,1-2,5-12H2.
What are the key properties of 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] has a molecular weight of 312.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] is sourced from PubChem (CID 142283385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).