1-(1-methyliodanuidylethyl)piperidine

C8H17IN- — CID 163894930

IUPAC1-(1-methyliodanuidylethyl)piperidine
SMILESC[I-]C(C)N1CCCCC1
InChIInChI=1S/C8H17IN/c1-8(9-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3/q-1
InChIKeyHLLINPKOCCGTBO-UHFFFAOYSA-N
MW254.13 g/mol
LogP-1.46
Rot. Bonds2

About 1-(1-methyliodanuidylethyl)piperidine

1-(1-methyliodanuidylethyl)piperidine (PubChem CID 163894930) has the molecular formula C8H17IN- and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(1-methyliodanuidylethyl)piperidine.

Molecular Properties

Compound Name1-(1-methyliodanuidylethyl)piperidine
PubChem CID163894930
Molecular FormulaC8H17IN-
Molecular Weight254.13 g/mol
Exact Mass254.04
IUPAC Name1-(1-methyliodanuidylethyl)piperidine
SMILESC[I-]C(C)N1CCCCC1
InChIInChI=1S/C8H17IN/c1-8(9-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3/q-1
InChIKeyHLLINPKOCCGTBO-UHFFFAOYSA-N
XLogP-1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 5-1.46
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
1-(2-deuteriopropan-2-yl)piperidine
CID 141005811
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
CID 19822700
ethane;1-(1-fluoroethyl)piperidine
CID 162429283

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyliodanuidylethyl)piperidine?
The IUPAC name of 1-(1-methyliodanuidylethyl)piperidine (CID 163894930) is 1-(1-methyliodanuidylethyl)piperidine.
What is the SMILES notation for 1-(1-methyliodanuidylethyl)piperidine?
The canonical SMILES for 1-(1-methyliodanuidylethyl)piperidine is C[I-]C(C)N1CCCCC1.
What is the InChIKey of 1-(1-methyliodanuidylethyl)piperidine?
The InChIKey is HLLINPKOCCGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN/c1-8(9-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3/q-1.
What are the key properties of 1-(1-methyliodanuidylethyl)piperidine?
1-(1-methyliodanuidylethyl)piperidine has a molecular weight of 254.13 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyliodanuidylethyl)piperidine is sourced from PubChem (CID 163894930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).