[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C12H17F3N2O — CID 104930313

IUPAC[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-3-6-17(7-4-10)11(18)9-2-1-5-16-8-9/h3,9,16H,1-2,4-8H2/t9-/m1/s1
InChIKeyMOMBIWTWHFRSMF-SECBINFHSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds1

About [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 104930313) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID104930313
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-3-6-17(7-4-10)11(18)9-2-1-5-16-8-9/h3,9,16H,1-2,4-8H2/t9-/m1/s1
InChIKeyMOMBIWTWHFRSMF-SECBINFHSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 104930313) is [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C([C@@H]1CCCNC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is MOMBIWTWHFRSMF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)10-3-6-17(7-4-10)11(18)9-2-1-5-16-8-9/h3,9,16H,1-2,4-8H2/t9-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 104930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).