4-aminopiperidine-1-carbonyl iodide

C6H11IN2O — CID 89243614

IUPAC4-aminopiperidine-1-carbonyl iodide
SMILESNC1CCN(C(=O)I)CC1
InChIInChI=1S/C6H11IN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2
InChIKeyKHOGUXATRYEVLJ-UHFFFAOYSA-N
MW254.07 g/mol
LogP0.96
Rot. Bonds

About 4-aminopiperidine-1-carbonyl iodide

4-aminopiperidine-1-carbonyl iodide (PubChem CID 89243614) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is 4-aminopiperidine-1-carbonyl iodide.

Molecular Properties

Compound Name4-aminopiperidine-1-carbonyl iodide
PubChem CID89243614
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name4-aminopiperidine-1-carbonyl iodide
SMILESNC1CCN(C(=O)I)CC1
InChIInChI=1S/C6H11IN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2
InChIKeyKHOGUXATRYEVLJ-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
4-cyclopropylpiperidine-1-carbonyl iodide
CID 167219975
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
1-hydroxypiperidin-4-amine
CID 56972720
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
CID 71122882

Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-1-carbonyl iodide?
The IUPAC name of 4-aminopiperidine-1-carbonyl iodide (CID 89243614) is 4-aminopiperidine-1-carbonyl iodide.
What is the SMILES notation for 4-aminopiperidine-1-carbonyl iodide?
The canonical SMILES for 4-aminopiperidine-1-carbonyl iodide is NC1CCN(C(=O)I)CC1.
What is the InChIKey of 4-aminopiperidine-1-carbonyl iodide?
The InChIKey is KHOGUXATRYEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2O/c7-6(10)9-3-1-5(8)2-4-9/h5H,1-4,8H2.
What are the key properties of 4-aminopiperidine-1-carbonyl iodide?
4-aminopiperidine-1-carbonyl iodide has a molecular weight of 254.07 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-1-carbonyl iodide is sourced from PubChem (CID 89243614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).