(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine

C11H13BrClN — CID 139094640

IUPAC(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine
SMILESCl[C@@H]1CCN[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C11H13BrClN/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,14H,5-7H2/t10-,11+/m1/s1
InChIKeyGYDMVPMVOMRCRM-MNOVXSKESA-N
MW274.59 g/mol
LogP3.48
Rot. Bonds1

About (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine

(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine (PubChem CID 139094640) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine.

Molecular Properties

Compound Name(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine
PubChem CID139094640
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine
SMILESCl[C@@H]1CCN[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C11H13BrClN/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,14H,5-7H2/t10-,11+/m1/s1
InChIKeyGYDMVPMVOMRCRM-MNOVXSKESA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine?
The IUPAC name of (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine (CID 139094640) is (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine.
What is the SMILES notation for (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine?
The canonical SMILES for (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine is Cl[C@@H]1CCN[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine?
The InChIKey is GYDMVPMVOMRCRM-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11,14H,5-7H2/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine?
(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine has a molecular weight of 274.59 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(4-bromophenyl)-4-chloropiperidine is sourced from PubChem (CID 139094640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).