(3R)-3-(4-bromo-2-chlorophenyl)piperidine

C11H13BrClN — CID 130852856

IUPAC(3R)-3-(4-bromo-2-chlorophenyl)piperidine
SMILESClc1cc(Br)ccc1[C@H]1CCCNC1
InChIInChI=1S/C11H13BrClN/c12-9-3-4-10(11(13)6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyNHPUBNJINYJYDG-QMMMGPOBSA-N
MW274.59 g/mol
LogP3.57
Rot. Bonds1

About (3R)-3-(4-bromo-2-chlorophenyl)piperidine

(3R)-3-(4-bromo-2-chlorophenyl)piperidine (PubChem CID 130852856) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (3R)-3-(4-bromo-2-chlorophenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(4-bromo-2-chlorophenyl)piperidine
PubChem CID130852856
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(3R)-3-(4-bromo-2-chlorophenyl)piperidine
SMILESClc1cc(Br)ccc1[C@H]1CCCNC1
InChIInChI=1S/C11H13BrClN/c12-9-3-4-10(11(13)6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyNHPUBNJINYJYDG-QMMMGPOBSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
3-chloro-4-piperidin-3-ylphenol
CID 82612870
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromo-2-chlorophenyl)piperidine?
The IUPAC name of (3R)-3-(4-bromo-2-chlorophenyl)piperidine (CID 130852856) is (3R)-3-(4-bromo-2-chlorophenyl)piperidine.
What is the SMILES notation for (3R)-3-(4-bromo-2-chlorophenyl)piperidine?
The canonical SMILES for (3R)-3-(4-bromo-2-chlorophenyl)piperidine is Clc1cc(Br)ccc1[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-(4-bromo-2-chlorophenyl)piperidine?
The InChIKey is NHPUBNJINYJYDG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-3-4-10(11(13)6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1.
What are the key properties of (3R)-3-(4-bromo-2-chlorophenyl)piperidine?
(3R)-3-(4-bromo-2-chlorophenyl)piperidine has a molecular weight of 274.59 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromo-2-chlorophenyl)piperidine is sourced from PubChem (CID 130852856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).