2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine

C16H22BrN — CID 80674675

IUPAC2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
SMILESBrCC1CCCCN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22BrN/c17-11-16-6-1-2-9-18(16)12-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12H2
InChIKeyHYVOLILFAVCAJU-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.92
Rot. Bonds3

About 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine

2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine (PubChem CID 80674675) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
PubChem CID80674675
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
SMILESBrCC1CCCCN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22BrN/c17-11-16-6-1-2-9-18(16)12-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12H2
InChIKeyHYVOLILFAVCAJU-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
1-[(3-bromo-4-fluorophenyl)methyl]-2-(bromomethyl)azepane
CID 116638475
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
CID 102785410
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
3-bromo-8-(2,3-dihydro-1H-inden-5-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 80669856
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine?
The IUPAC name of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine (CID 80674675) is 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine?
The canonical SMILES for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine is BrCC1CCCCN1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine?
The InChIKey is HYVOLILFAVCAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-11-16-6-1-2-9-18(16)12-13-7-8-14-4-3-5-15(14)10-13/h7-8,10,16H,1-6,9,11-12H2.
What are the key properties of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine?
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine has a molecular weight of 308.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine is sourced from PubChem (CID 80674675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).