iodomethane;piperidine-1-carboxylic acid

C7H14INO2 — CID 159672368

IUPACiodomethane;piperidine-1-carboxylic acid
SMILESCI.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.CH3I/c8-6(9)7-4-2-1-3-5-7;1-2/h1-5H2,(H,8,9);1H3
InChIKeyMUDUPNYLXWZURD-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.20
Rot. Bonds

About iodomethane;piperidine-1-carboxylic acid

iodomethane;piperidine-1-carboxylic acid (PubChem CID 159672368) has the molecular formula C7H14INO2 and a molecular weight of 271.10 g/mol. Its IUPAC name is iodomethane;piperidine-1-carboxylic acid.

Molecular Properties

Compound Nameiodomethane;piperidine-1-carboxylic acid
PubChem CID159672368
Molecular FormulaC7H14INO2
Molecular Weight271.10 g/mol
Exact Mass271.01
IUPAC Nameiodomethane;piperidine-1-carboxylic acid
SMILESCI.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.CH3I/c8-6(9)7-4-2-1-3-5-7;1-2/h1-5H2,(H,8,9);1H3
InChIKeyMUDUPNYLXWZURD-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.20
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

oxalic acid;piperidine-1-carboxylic acid
CID 158853542
1,4-dioxane;pyrrolidine-1-carboxylic acid
CID 158122875
2,2-dimethoxyethanamine;piperidine-1-carboxylic acid
CID 69464165
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
1,5-diazocane-1-carboxylic acid
CID 141313557
tert-butyl 2,2,2-trifluoroacetate;piperidine-1-carboxylic acid
CID 141216999
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
4-acetylpiperidine-1-carboxylic acid
CID 22135578
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
piperidine-1-carboxylic acid;styrene
CID 174300067
ethane;piperidine-1-carboxamide
CID 176963561
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580

Frequently Asked Questions

What is the IUPAC name of iodomethane;piperidine-1-carboxylic acid?
The IUPAC name of iodomethane;piperidine-1-carboxylic acid (CID 159672368) is iodomethane;piperidine-1-carboxylic acid.
What is the SMILES notation for iodomethane;piperidine-1-carboxylic acid?
The canonical SMILES for iodomethane;piperidine-1-carboxylic acid is CI.O=C(O)N1CCCCC1.
What is the InChIKey of iodomethane;piperidine-1-carboxylic acid?
The InChIKey is MUDUPNYLXWZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.CH3I/c8-6(9)7-4-2-1-3-5-7;1-2/h1-5H2,(H,8,9);1H3.
What are the key properties of iodomethane;piperidine-1-carboxylic acid?
iodomethane;piperidine-1-carboxylic acid has a molecular weight of 271.10 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;piperidine-1-carboxylic acid is sourced from PubChem (CID 159672368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).