(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

C12H15IN2O — CID 82704622

IUPAC(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O/c1-9-8-14-6-7-15(9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyMDLIYWASNKIJEO-SECBINFHSA-N
MW330.17 g/mol
LogP1.73
Rot. Bonds1

About (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82704622) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82704622
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O/c1-9-8-14-6-7-15(9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyMDLIYWASNKIJEO-SECBINFHSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
(2-bromophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82251844
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471975
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82704622) is (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is MDLIYWASNKIJEO-SECBINFHSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-9-8-14-6-7-15(9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 330.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82704622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).