3-(4-bromophenyl)-4-cyclopentylpiperidine

C16H22BrN — CID 79434969

IUPAC3-(4-bromophenyl)-4-cyclopentylpiperidine
SMILESBrc1ccc(C2CNCCC2C2CCCC2)cc1
InChIInChI=1S/C16H22BrN/c17-14-7-5-13(6-8-14)16-11-18-10-9-15(16)12-3-1-2-4-12/h5-8,12,15-16,18H,1-4,9-11H2
InChIKeySJNFDGQFDCNBKC-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.33
Rot. Bonds2

About 3-(4-bromophenyl)-4-cyclopentylpiperidine

3-(4-bromophenyl)-4-cyclopentylpiperidine (PubChem CID 79434969) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-cyclopentylpiperidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-cyclopentylpiperidine
PubChem CID79434969
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name3-(4-bromophenyl)-4-cyclopentylpiperidine
SMILESBrc1ccc(C2CNCCC2C2CCCC2)cc1
InChIInChI=1S/C16H22BrN/c17-14-7-5-13(6-8-14)16-11-18-10-9-15(16)12-3-1-2-4-12/h5-8,12,15-16,18H,1-4,9-11H2
InChIKeySJNFDGQFDCNBKC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038
3-(3-chlorophenyl)-4-cyclopentylpiperidine
CID 79431788
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine
CID 79442205
3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
CID 79434668
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
CID 13039290
3,4-di(cyclooctyl)piperidine
CID 54064226
4-(4-bromo-5-chlorothiophen-2-yl)-3-(4-bromophenyl)piperidine
CID 102845481
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
CID 112570759

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-cyclopentylpiperidine?
The IUPAC name of 3-(4-bromophenyl)-4-cyclopentylpiperidine (CID 79434969) is 3-(4-bromophenyl)-4-cyclopentylpiperidine.
What is the SMILES notation for 3-(4-bromophenyl)-4-cyclopentylpiperidine?
The canonical SMILES for 3-(4-bromophenyl)-4-cyclopentylpiperidine is Brc1ccc(C2CNCCC2C2CCCC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-cyclopentylpiperidine?
The InChIKey is SJNFDGQFDCNBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-14-7-5-13(6-8-14)16-11-18-10-9-15(16)12-3-1-2-4-12/h5-8,12,15-16,18H,1-4,9-11H2.
What are the key properties of 3-(4-bromophenyl)-4-cyclopentylpiperidine?
3-(4-bromophenyl)-4-cyclopentylpiperidine has a molecular weight of 308.26 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-cyclopentylpiperidine is sourced from PubChem (CID 79434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).