1,4-diethyl-4-iodopiperidine

C9H18IN — CID 118535824

IUPAC1,4-diethyl-4-iodopiperidine
SMILESCCN1CCC(I)(CC)CC1
InChIInChI=1S/C9H18IN/c1-3-9(10)5-7-11(4-2)8-6-9/h3-8H2,1-2H3
InChIKeyLNBIUCWSBPAAHL-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.69
Rot. Bonds2

About 1,4-diethyl-4-iodopiperidine

1,4-diethyl-4-iodopiperidine (PubChem CID 118535824) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 1,4-diethyl-4-iodopiperidine.

Molecular Properties

Compound Name1,4-diethyl-4-iodopiperidine
PubChem CID118535824
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name1,4-diethyl-4-iodopiperidine
SMILESCCN1CCC(I)(CC)CC1
InChIInChI=1S/C9H18IN/c1-3-9(10)5-7-11(4-2)8-6-9/h3-8H2,1-2H3
InChIKeyLNBIUCWSBPAAHL-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
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

1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
4-tert-butyl-1,4-diethylpiperidine
CID 122664542
1,4-diethylpiperazine;sulfane
CID 177062456
(1-ethyl-4-methylpiperidin-4-yl)methanol
CID 23389267
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
1,3-diethylpyrrolidin-3-ol
CID 67586028
7-ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-4-iodopiperidine?
The IUPAC name of 1,4-diethyl-4-iodopiperidine (CID 118535824) is 1,4-diethyl-4-iodopiperidine.
What is the SMILES notation for 1,4-diethyl-4-iodopiperidine?
The canonical SMILES for 1,4-diethyl-4-iodopiperidine is CCN1CCC(I)(CC)CC1.
What is the InChIKey of 1,4-diethyl-4-iodopiperidine?
The InChIKey is LNBIUCWSBPAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-3-9(10)5-7-11(4-2)8-6-9/h3-8H2,1-2H3.
What are the key properties of 1,4-diethyl-4-iodopiperidine?
1,4-diethyl-4-iodopiperidine has a molecular weight of 267.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-4-iodopiperidine is sourced from PubChem (CID 118535824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).