(3R,4S)-3-ethyl-4-iodopiperidine

C7H14IN — CID 134386985

IUPAC(3R,4S)-3-ethyl-4-iodopiperidine
SMILESCC[C@@H]1CNCC[C@@H]1I
InChIInChI=1S/C7H14IN/c1-2-6-5-9-4-3-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOKYPCSMKVBUOME-RQJHMYQMSA-N
MW239.10 g/mol
LogP1.81
Rot. Bonds1

About (3R,4S)-3-ethyl-4-iodopiperidine

(3R,4S)-3-ethyl-4-iodopiperidine (PubChem CID 134386985) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-iodopiperidine.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-iodopiperidine
PubChem CID134386985
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name(3R,4S)-3-ethyl-4-iodopiperidine
SMILESCC[C@@H]1CNCC[C@@H]1I
InChIInChI=1S/C7H14IN/c1-2-6-5-9-4-3-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOKYPCSMKVBUOME-RQJHMYQMSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.81
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

(3R,4R)-3-ethyl-4-iodopyrrolidine
CID 134386947
3-ethyl-4-(3-methylbutan-2-yl)piperidine
CID 130648715
3-ethylpiperidine-4-carbonitrile
CID 121200011
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
3-(difluoromethyl)-4-ethylpiperidine
CID 105432137
(3R,4S)-4-iodo-3-propan-2-ylpiperidine
CID 139491710
ethane;3-ethylpyrrolidine
CID 143803201
3-ethyl-4-phenylpiperidine
CID 56828112
(3-ethylpiperidin-4-yl)urea
CID 122589818
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
4-(3,5-dichlorophenyl)-3-ethylpiperidine
CID 79310849
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-iodopiperidine?
The IUPAC name of (3R,4S)-3-ethyl-4-iodopiperidine (CID 134386985) is (3R,4S)-3-ethyl-4-iodopiperidine.
What is the SMILES notation for (3R,4S)-3-ethyl-4-iodopiperidine?
The canonical SMILES for (3R,4S)-3-ethyl-4-iodopiperidine is CC[C@@H]1CNCC[C@@H]1I.
What is the InChIKey of (3R,4S)-3-ethyl-4-iodopiperidine?
The InChIKey is OKYPCSMKVBUOME-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14IN/c1-2-6-5-9-4-3-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-4-iodopiperidine?
(3R,4S)-3-ethyl-4-iodopiperidine has a molecular weight of 239.10 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-iodopiperidine is sourced from PubChem (CID 134386985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).