(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine

C11H16IN3 — CID 134406698

IUPAC(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(I)nc1
InChIInChI=1S/C11H16IN3/c1-9-6-13-4-5-15(9)8-10-2-3-11(12)14-7-10/h2-3,7,9,13H,4-6,8H2,1H3/t9-/m1/s1
InChIKeyQVZGPFVRUFTAJH-SECBINFHSA-N
MW317.17 g/mol
LogP1.48
Rot. Bonds2

About (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine

(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine (PubChem CID 134406698) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
PubChem CID134406698
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(I)nc1
InChIInChI=1S/C11H16IN3/c1-9-6-13-4-5-15(9)8-10-2-3-11(12)14-7-10/h2-3,7,9,13H,4-6,8H2,1H3/t9-/m1/s1
InChIKeyQVZGPFVRUFTAJH-SECBINFHSA-N
XLogP1.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 168510113
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
CID 71639563

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine (CID 134406698) is (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1ccc(I)nc1.
What is the InChIKey of (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine?
The InChIKey is QVZGPFVRUFTAJH-SECBINFHSA-N. The full InChI is InChI=1S/C11H16IN3/c1-9-6-13-4-5-15(9)8-10-2-3-11(12)14-7-10/h2-3,7,9,13H,4-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine?
(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine has a molecular weight of 317.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 134406698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).