(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone

C11H18F2N2O — CID 77444049

IUPAC(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C11H18F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h8-9,14H,2-7H2,1H3
InChIKeyFRESUODQQPSBFC-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.24
Rot. Bonds1

About (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone

(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 77444049) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID77444049
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC(F)(F)CN2)CC1
InChIInChI=1S/C11H18F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h8-9,14H,2-7H2,1H3
InChIKeyFRESUODQQPSBFC-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 77444049) is (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CC(F)(F)CN2)CC1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is FRESUODQQPSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-8-2-4-15(5-3-8)10(16)9-6-11(12,13)7-14-9/h8-9,14H,2-7H2,1H3.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone?
(4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 232.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 77444049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).