2-[3-(iodomethyl)piperidin-1-yl]acetic acid

C8H14INO2 — CID 66563796

IUPAC2-[3-(iodomethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(CI)C1
InChIInChI=1S/C8H14INO2/c9-4-7-2-1-3-10(5-7)6-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyHEKUCEKLAYBOSU-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.22
Rot. Bonds3

About 2-[3-(iodomethyl)piperidin-1-yl]acetic acid

2-[3-(iodomethyl)piperidin-1-yl]acetic acid (PubChem CID 66563796) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-[3-(iodomethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(iodomethyl)piperidin-1-yl]acetic acid
PubChem CID66563796
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name2-[3-(iodomethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(CI)C1
InChIInChI=1S/C8H14INO2/c9-4-7-2-1-3-10(5-7)6-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyHEKUCEKLAYBOSU-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
2-[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 65458095
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
2-[3-(1-hydroxyethyl)piperidin-1-yl]acetic acid
CID 121201670
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
CID 107227868
2-[4,8,11-tris(carboxymethyl)-6-(2-methylpropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 129117851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(iodomethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(iodomethyl)piperidin-1-yl]acetic acid (CID 66563796) is 2-[3-(iodomethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(iodomethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(iodomethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(CI)C1.
What is the InChIKey of 2-[3-(iodomethyl)piperidin-1-yl]acetic acid?
The InChIKey is HEKUCEKLAYBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c9-4-7-2-1-3-10(5-7)6-8(11)12/h7H,1-6H2,(H,11,12).
What are the key properties of 2-[3-(iodomethyl)piperidin-1-yl]acetic acid?
2-[3-(iodomethyl)piperidin-1-yl]acetic acid has a molecular weight of 283.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(iodomethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 66563796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).