(3R)-3-(2-bromo-5-iodophenyl)piperidine

C11H13BrIN — CID 131218525

IUPAC(3R)-3-(2-bromo-5-iodophenyl)piperidine
SMILESBrc1ccc(I)cc1[C@H]1CCCNC1
InChIInChI=1S/C11H13BrIN/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyXSAMFVZRPXOXPA-QMMMGPOBSA-N
MW366.04 g/mol
LogP3.52
Rot. Bonds1

About (3R)-3-(2-bromo-5-iodophenyl)piperidine

(3R)-3-(2-bromo-5-iodophenyl)piperidine (PubChem CID 131218525) has the molecular formula C11H13BrIN and a molecular weight of 366.04 g/mol. Its IUPAC name is (3R)-3-(2-bromo-5-iodophenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-bromo-5-iodophenyl)piperidine
PubChem CID131218525
Molecular FormulaC11H13BrIN
Molecular Weight366.04 g/mol
Exact Mass364.93
IUPAC Name(3R)-3-(2-bromo-5-iodophenyl)piperidine
SMILESBrc1ccc(I)cc1[C@H]1CCCNC1
InChIInChI=1S/C11H13BrIN/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyXSAMFVZRPXOXPA-QMMMGPOBSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.04
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
CID 117456883
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
3-(4-bromofuran-3-yl)piperidine
CID 82390956
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117497145
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
2-bromo-4-piperidin-3-ylaniline
CID 130039466

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-5-iodophenyl)piperidine?
The IUPAC name of (3R)-3-(2-bromo-5-iodophenyl)piperidine (CID 131218525) is (3R)-3-(2-bromo-5-iodophenyl)piperidine.
What is the SMILES notation for (3R)-3-(2-bromo-5-iodophenyl)piperidine?
The canonical SMILES for (3R)-3-(2-bromo-5-iodophenyl)piperidine is Brc1ccc(I)cc1[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-(2-bromo-5-iodophenyl)piperidine?
The InChIKey is XSAMFVZRPXOXPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrIN/c12-11-4-3-9(13)6-10(11)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-(2-bromo-5-iodophenyl)piperidine?
(3R)-3-(2-bromo-5-iodophenyl)piperidine has a molecular weight of 366.04 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromo-5-iodophenyl)piperidine is sourced from PubChem (CID 131218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).