3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one

C15H21IN2O2 — CID 119814869

IUPAC3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C15H21IN2O2/c1-11(17)10-15(19)18-8-6-12(7-9-18)20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3
InChIKeyDPJDJUDXZCVZTK-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.40
Rot. Bonds4

About 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one

3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one (PubChem CID 119814869) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
PubChem CID119814869
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Name3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C15H21IN2O2/c1-11(17)10-15(19)18-8-6-12(7-9-18)20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3
InChIKeyDPJDJUDXZCVZTK-UHFFFAOYSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
[3-(2-iodophenoxy)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 91126412
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
CID 109454398
1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46957140
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one (CID 119814869) is 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one is CC(N)CC(=O)N1CCC(Oc2ccccc2I)CC1.
What is the InChIKey of 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one?
The InChIKey is DPJDJUDXZCVZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-11(17)10-15(19)18-8-6-12(7-9-18)20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3.
What are the key properties of 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one?
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one has a molecular weight of 388.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119814869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).