2-(1-iodopiperidin-4-yl)acetic acid

C7H12INO2 — CID 122597455

IUPAC2-(1-iodopiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(I)CC1
InChIInChI=1S/C7H12INO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyFVKBIZQKRBYLGD-UHFFFAOYSA-N
MW269.08 g/mol
LogP1.52
Rot. Bonds2

About 2-(1-iodopiperidin-4-yl)acetic acid

2-(1-iodopiperidin-4-yl)acetic acid (PubChem CID 122597455) has the molecular formula C7H12INO2 and a molecular weight of 269.08 g/mol. Its IUPAC name is 2-(1-iodopiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-iodopiperidin-4-yl)acetic acid
PubChem CID122597455
Molecular FormulaC7H12INO2
Molecular Weight269.08 g/mol
Exact Mass268.99
IUPAC Name2-(1-iodopiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(I)CC1
InChIInChI=1S/C7H12INO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyFVKBIZQKRBYLGD-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpiperidine-3-carboxylic Acid
CID 2736937
4-Piperidineacetic acid
CID 1512594
2-(1-Methylpiperidin-4-yl)acetic acid hydrochloride
CID 12428149
2-(1-Methylpiperidin-4-yl)acetic acid
CID 428619
(1-Acetylpiperidin-4-yl)acetic acid
CID 10442408
1-Methylpiperidine-3-carboxylic acid hydrochloride
CID 12514711
4-Piperidineacetic acid hydrochloride
CID 15565775
2-(1-Ethylpiperidin-4-yl)acetic acid hydrochloride
CID 45595305
(3S)-1-methylpiperidine-3-carboxylic acid hydrochloride
CID 67923100
(3R)-1-methylpiperidine-3-carboxylic acid hydrochloride
CID 67923152
2-[1-(Propan-2-yl)piperidin-4-yl]acetic acid hydrochloride
CID 68451421
(S)-1-Methylpiperidine-3-carboxylic acid
CID 7019009

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodopiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-iodopiperidin-4-yl)acetic acid (CID 122597455) is 2-(1-iodopiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-iodopiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-iodopiperidin-4-yl)acetic acid is O=C(O)CC1CCN(I)CC1.
What is the InChIKey of 2-(1-iodopiperidin-4-yl)acetic acid?
The InChIKey is FVKBIZQKRBYLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 2-(1-iodopiperidin-4-yl)acetic acid?
2-(1-iodopiperidin-4-yl)acetic acid has a molecular weight of 269.08 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodopiperidin-4-yl)acetic acid is sourced from PubChem (CID 122597455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).