3-(3-bromophenoxy)-1-cyclopentylpiperidine

C16H22BrNO — CID 84606165

IUPAC3-(3-bromophenoxy)-1-cyclopentylpiperidine
SMILESBrc1cccc(OC2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C16H22BrNO/c17-13-5-3-8-15(11-13)19-16-9-4-10-18(12-16)14-6-1-2-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12H2
InChIKeyPXBCHZRBSHJBEC-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.23
Rot. Bonds3

About 3-(3-bromophenoxy)-1-cyclopentylpiperidine

3-(3-bromophenoxy)-1-cyclopentylpiperidine (PubChem CID 84606165) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-1-cyclopentylpiperidine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-1-cyclopentylpiperidine
PubChem CID84606165
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(3-bromophenoxy)-1-cyclopentylpiperidine
SMILESBrc1cccc(OC2CCCN(C3CCCC3)C2)c1
InChIInChI=1S/C16H22BrNO/c17-13-5-3-8-15(11-13)19-16-9-4-10-18(12-16)14-6-1-2-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12H2
InChIKeyPXBCHZRBSHJBEC-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenoxy)-9-(cyclopropylmethyl)-9-azabicyclo[3.3.1]nonane
CID 66840212
2-(3-bromophenoxy)oxane
CID 5067264
3-(3-bromophenoxy)oxetane
CID 83487082
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
1-bromo-3-(3-chlorocyclobutyl)oxybenzene
CID 66343584
1-[2-(3-bromophenoxy)ethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 62959239
3-(3-bromophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66840236
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
(3-bromophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 78960096
2-[4-(3-bromophenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977419

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-1-cyclopentylpiperidine?
The IUPAC name of 3-(3-bromophenoxy)-1-cyclopentylpiperidine (CID 84606165) is 3-(3-bromophenoxy)-1-cyclopentylpiperidine.
What is the SMILES notation for 3-(3-bromophenoxy)-1-cyclopentylpiperidine?
The canonical SMILES for 3-(3-bromophenoxy)-1-cyclopentylpiperidine is Brc1cccc(OC2CCCN(C3CCCC3)C2)c1.
What is the InChIKey of 3-(3-bromophenoxy)-1-cyclopentylpiperidine?
The InChIKey is PXBCHZRBSHJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-13-5-3-8-15(11-13)19-16-9-4-10-18(12-16)14-6-1-2-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12H2.
What are the key properties of 3-(3-bromophenoxy)-1-cyclopentylpiperidine?
3-(3-bromophenoxy)-1-cyclopentylpiperidine has a molecular weight of 324.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-1-cyclopentylpiperidine is sourced from PubChem (CID 84606165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).