[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate

C15H20INO2 — CID 1327012

IUPAC[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
SMILESC[C@H](CN1CCCCC1)OC(=O)c1ccccc1I
InChIInChI=1S/C15H20INO2/c1-12(11-17-9-5-2-6-10-17)19-15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyGUWIJNBHJJTFJN-GFCCVEGCSA-N
MW373.23 g/mol
LogP3.32
Rot. Bonds4

About [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate

[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate (PubChem CID 1327012) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate.

Molecular Properties

Compound Name[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
PubChem CID1327012
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
SMILESC[C@H](CN1CCCCC1)OC(=O)c1ccccc1I
InChIInChI=1S/C15H20INO2/c1-12(11-17-9-5-2-6-10-17)19-15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyGUWIJNBHJJTFJN-GFCCVEGCSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
1-piperidin-1-ylpropan-2-yl 2-bromobenzoate
CID 2912544
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-piperidin-1-ylpropan-2-yl 3,5-dimethylbenzoate
CID 71391258
[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate
CID 7407978
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate?
The IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate (CID 1327012) is [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate.
What is the SMILES notation for [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate?
The canonical SMILES for [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate is C[C@H](CN1CCCCC1)OC(=O)c1ccccc1I.
What is the InChIKey of [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate?
The InChIKey is GUWIJNBHJJTFJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20INO2/c1-12(11-17-9-5-2-6-10-17)19-15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate?
[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate has a molecular weight of 373.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate is sourced from PubChem (CID 1327012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).