(2R,4R)-2-iodo-4-propan-2-ylpiperidine

C8H16IN — CID 167503310

IUPAC(2R,4R)-2-iodo-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN[C@H](I)C1
InChIInChI=1S/C8H16IN/c1-6(2)7-3-4-10-8(9)5-7/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLGFZNZMQPHISMX-SFYZADRCSA-N
MW253.13 g/mol
LogP2.40
Rot. Bonds1

About (2R,4R)-2-iodo-4-propan-2-ylpiperidine

(2R,4R)-2-iodo-4-propan-2-ylpiperidine (PubChem CID 167503310) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is (2R,4R)-2-iodo-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,4R)-2-iodo-4-propan-2-ylpiperidine
PubChem CID167503310
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name(2R,4R)-2-iodo-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN[C@H](I)C1
InChIInChI=1S/C8H16IN/c1-6(2)7-3-4-10-8(9)5-7/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLGFZNZMQPHISMX-SFYZADRCSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.40
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
(2R,4R)-4-propan-2-ylpiperidin-2-ol
CID 125130328
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
CID 147316597
N-methyl-2-(4-propan-2-ylpiperidin-2-yl)ethanamine
CID 170616684
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
CID 159611359
8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
CID 166956408
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 164599271
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 168995872

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-iodo-4-propan-2-ylpiperidine?
The IUPAC name of (2R,4R)-2-iodo-4-propan-2-ylpiperidine (CID 167503310) is (2R,4R)-2-iodo-4-propan-2-ylpiperidine.
What is the SMILES notation for (2R,4R)-2-iodo-4-propan-2-ylpiperidine?
The canonical SMILES for (2R,4R)-2-iodo-4-propan-2-ylpiperidine is CC(C)[C@@H]1CCN[C@H](I)C1.
What is the InChIKey of (2R,4R)-2-iodo-4-propan-2-ylpiperidine?
The InChIKey is LGFZNZMQPHISMX-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16IN/c1-6(2)7-3-4-10-8(9)5-7/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R,4R)-2-iodo-4-propan-2-ylpiperidine?
(2R,4R)-2-iodo-4-propan-2-ylpiperidine has a molecular weight of 253.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-iodo-4-propan-2-ylpiperidine is sourced from PubChem (CID 167503310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).