4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine

C16H21BrClN — CID 112570759

IUPAC4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
SMILESClc1ccc(Br)c(C2CCNCC2C2CCCC2)c1
InChIInChI=1S/C16H21BrClN/c17-16-6-5-12(18)9-14(16)13-7-8-19-10-15(13)11-3-1-2-4-11/h5-6,9,11,13,15,19H,1-4,7-8,10H2
InChIKeyATXPRUMDBSRYEP-UHFFFAOYSA-N
MW342.71 g/mol
LogP4.99
Rot. Bonds2

About 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine

4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine (PubChem CID 112570759) has the molecular formula C16H21BrClN and a molecular weight of 342.71 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
PubChem CID112570759
Molecular FormulaC16H21BrClN
Molecular Weight342.71 g/mol
Exact Mass341.05
IUPAC Name4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
SMILESClc1ccc(Br)c(C2CCNCC2C2CCCC2)c1
InChIInChI=1S/C16H21BrClN/c17-16-6-5-12(18)9-14(16)13-7-8-19-10-15(13)11-3-1-2-4-11/h5-6,9,11,13,15,19H,1-4,7-8,10H2
InChIKeyATXPRUMDBSRYEP-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine (CID 112570759) is 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine is Clc1ccc(Br)c(C2CCNCC2C2CCCC2)c1.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine?
The InChIKey is ATXPRUMDBSRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN/c17-16-6-5-12(18)9-14(16)13-7-8-19-10-15(13)11-3-1-2-4-11/h5-6,9,11,13,15,19H,1-4,7-8,10H2.
What are the key properties of 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine?
4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine has a molecular weight of 342.71 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine is sourced from PubChem (CID 112570759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).