(3S)-3-(5-bromo-2-chlorophenyl)piperidine

C11H13BrClN — CID 130619016

IUPAC(3S)-3-(5-bromo-2-chlorophenyl)piperidine
SMILESClc1ccc(Br)cc1[C@@H]1CCCNC1
InChIInChI=1S/C11H13BrClN/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyYQVQBHKAZWGGLZ-MRVPVSSYSA-N
MW274.59 g/mol
LogP3.57
Rot. Bonds1

About (3S)-3-(5-bromo-2-chlorophenyl)piperidine

(3S)-3-(5-bromo-2-chlorophenyl)piperidine (PubChem CID 130619016) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (3S)-3-(5-bromo-2-chlorophenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(5-bromo-2-chlorophenyl)piperidine
PubChem CID130619016
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(3S)-3-(5-bromo-2-chlorophenyl)piperidine
SMILESClc1ccc(Br)cc1[C@@H]1CCCNC1
InChIInChI=1S/C11H13BrClN/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyYQVQBHKAZWGGLZ-MRVPVSSYSA-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

(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
4-chloro-3-piperidin-3-ylphenol
CID 84678781
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
3-chloro-4-piperidin-3-ylphenol
CID 82612870
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-bromo-2-chlorophenyl)piperidine?
The IUPAC name of (3S)-3-(5-bromo-2-chlorophenyl)piperidine (CID 130619016) is (3S)-3-(5-bromo-2-chlorophenyl)piperidine.
What is the SMILES notation for (3S)-3-(5-bromo-2-chlorophenyl)piperidine?
The canonical SMILES for (3S)-3-(5-bromo-2-chlorophenyl)piperidine is Clc1ccc(Br)cc1[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-(5-bromo-2-chlorophenyl)piperidine?
The InChIKey is YQVQBHKAZWGGLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of (3S)-3-(5-bromo-2-chlorophenyl)piperidine?
(3S)-3-(5-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 (3S)-3-(5-bromo-2-chlorophenyl)piperidine is sourced from PubChem (CID 130619016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).