(3S)-3-(2-iodoethyl)piperidine

C7H14IN — CID 97168699

IUPAC(3S)-3-(2-iodoethyl)piperidine
SMILESICC[C@@H]1CCCNC1
InChIInChI=1S/C7H14IN/c8-4-3-7-2-1-5-9-6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyZKVKYYVITCCIHO-ZETCQYMHSA-N
MW239.10 g/mol
LogP1.81
Rot. Bonds2

About (3S)-3-(2-iodoethyl)piperidine

(3S)-3-(2-iodoethyl)piperidine (PubChem CID 97168699) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is (3S)-3-(2-iodoethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-iodoethyl)piperidine
PubChem CID97168699
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name(3S)-3-(2-iodoethyl)piperidine
SMILESICC[C@@H]1CCCNC1
InChIInChI=1S/C7H14IN/c8-4-3-7-2-1-5-9-6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyZKVKYYVITCCIHO-ZETCQYMHSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

3-(2-iodoethyl)pyrrolidine
CID 71648953
3-(3-methylbutyl)piperidine
CID 53409753
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
(3S)-3-heptylpiperidine
CID 155456188
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
2-piperidin-3-ylethanesulfonyl fluoride
CID 146049276
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-iodoethyl)piperidine?
The IUPAC name of (3S)-3-(2-iodoethyl)piperidine (CID 97168699) is (3S)-3-(2-iodoethyl)piperidine.
What is the SMILES notation for (3S)-3-(2-iodoethyl)piperidine?
The canonical SMILES for (3S)-3-(2-iodoethyl)piperidine is ICC[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-iodoethyl)piperidine?
The InChIKey is ZKVKYYVITCCIHO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14IN/c8-4-3-7-2-1-5-9-6-7/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of (3S)-3-(2-iodoethyl)piperidine?
(3S)-3-(2-iodoethyl)piperidine has a molecular weight of 239.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-iodoethyl)piperidine is sourced from PubChem (CID 97168699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).