1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one

C11H17F3N2O — CID 67034641

IUPAC1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCCN(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)15-6-3-4-9(8-15)16-7-2-1-5-10(16)17/h9H,1-8H2
InChIKeyWOKINXOXPTVNFN-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.98
Rot. Bonds1

About 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one

1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one (PubChem CID 67034641) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one
PubChem CID67034641
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCCN(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)15-6-3-4-9(8-15)16-7-2-1-5-10(16)17/h9H,1-8H2
InChIKeyWOKINXOXPTVNFN-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one (CID 67034641) is 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one is O=C1CCCCN1C1CCCN(C(F)(F)F)C1.
What is the InChIKey of 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one?
The InChIKey is WOKINXOXPTVNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)15-6-3-4-9(8-15)16-7-2-1-5-10(16)17/h9H,1-8H2.
What are the key properties of 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one?
1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)piperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 67034641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).