(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one

C14H18ClFN2O — CID 89160432

IUPAC(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C([C@@H](Cc1ccc(F)cc1)NCl)N1CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-17-13(10-11-4-6-12(16)7-5-11)14(19)18-8-2-1-3-9-18/h4-7,13,17H,1-3,8-10H2/t13-/m1/s1
InChIKeyAISOPMGMDMXSCF-CYBMUJFWSA-N
MW284.76 g/mol
LogP2.49
Rot. Bonds4

About (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one

(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 89160432) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID89160432
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C([C@@H](Cc1ccc(F)cc1)NCl)N1CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-17-13(10-11-4-6-12(16)7-5-11)14(19)18-8-2-1-3-9-18/h4-7,13,17H,1-3,8-10H2/t13-/m1/s1
InChIKeyAISOPMGMDMXSCF-CYBMUJFWSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one (CID 89160432) is (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one is O=C([C@@H](Cc1ccc(F)cc1)NCl)N1CCCCC1.
What is the InChIKey of (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is AISOPMGMDMXSCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-17-13(10-11-4-6-12(16)7-5-11)14(19)18-8-2-1-3-9-18/h4-7,13,17H,1-3,8-10H2/t13-/m1/s1.
What are the key properties of (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 284.76 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 89160432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).