(2R,4S)-4-iodo-2-methylpiperidine

C6H12IN — CID 156844978

IUPAC(2R,4S)-4-iodo-2-methylpiperidine
SMILESC[C@@H]1C[C@@H](I)CCN1
InChIInChI=1S/C6H12IN/c1-5-4-6(7)2-3-8-5/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyNCZBRXQYEPMHAG-RITPCOANSA-N
MW225.07 g/mol
LogP1.56
Rot. Bonds

About (2R,4S)-4-iodo-2-methylpiperidine

(2R,4S)-4-iodo-2-methylpiperidine (PubChem CID 156844978) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is (2R,4S)-4-iodo-2-methylpiperidine.

Molecular Properties

Compound Name(2R,4S)-4-iodo-2-methylpiperidine
PubChem CID156844978
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name(2R,4S)-4-iodo-2-methylpiperidine
SMILESC[C@@H]1C[C@@H](I)CCN1
InChIInChI=1S/C6H12IN/c1-5-4-6(7)2-3-8-5/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyNCZBRXQYEPMHAG-RITPCOANSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4-dimethylpiperidine
CID 144551274
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
(2R,4S)-2-methylpiperidine-4-thiol
CID 94843330
4-cyclopropyl-2-methylpiperidine
CID 82594092
ethane;2-methylpiperidin-4-amine
CID 142519912
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
4-methoxy-2-methylpiperidine
CID 23546928
3-iodo-2-methylpyrrolidine
CID 118329704
[(2R,4S)-2-methylpiperidin-4-yl]methanamine
CID 129409873
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 165117127
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
CID 95913690

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-iodo-2-methylpiperidine?
The IUPAC name of (2R,4S)-4-iodo-2-methylpiperidine (CID 156844978) is (2R,4S)-4-iodo-2-methylpiperidine.
What is the SMILES notation for (2R,4S)-4-iodo-2-methylpiperidine?
The canonical SMILES for (2R,4S)-4-iodo-2-methylpiperidine is C[C@@H]1C[C@@H](I)CCN1.
What is the InChIKey of (2R,4S)-4-iodo-2-methylpiperidine?
The InChIKey is NCZBRXQYEPMHAG-RITPCOANSA-N. The full InChI is InChI=1S/C6H12IN/c1-5-4-6(7)2-3-8-5/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2R,4S)-4-iodo-2-methylpiperidine?
(2R,4S)-4-iodo-2-methylpiperidine has a molecular weight of 225.07 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-iodo-2-methylpiperidine is sourced from PubChem (CID 156844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).