4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine

C15H20BrN — CID 84815312

IUPAC4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
SMILESBrc1cc(CC2CCNCC2)cc2c1CCC2
InChIInChI=1S/C15H20BrN/c16-15-10-12(8-11-4-6-17-7-5-11)9-13-2-1-3-14(13)15/h9-11,17H,1-8H2
InChIKeyAGLSVHUJIIZSMV-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.48
Rot. Bonds2

About 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine

4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine (PubChem CID 84815312) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
PubChem CID84815312
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
SMILESBrc1cc(CC2CCNCC2)cc2c1CCC2
InChIInChI=1S/C15H20BrN/c16-15-10-12(8-11-4-6-17-7-5-11)9-13-2-1-3-14(13)15/h9-11,17H,1-8H2
InChIKeyAGLSVHUJIIZSMV-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117499962
3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
CID 84797929
4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117402935
4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
CID 84808877
3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The IUPAC name of 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine (CID 84815312) is 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine is Brc1cc(CC2CCNCC2)cc2c1CCC2.
What is the InChIKey of 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The InChIKey is AGLSVHUJIIZSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15-10-12(8-11-4-6-17-7-5-11)9-13-2-1-3-14(13)15/h9-11,17H,1-8H2.
What are the key properties of 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine has a molecular weight of 294.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine is sourced from PubChem (CID 84815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).