(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone

C11H18F2N2O — CID 123780835

IUPAC(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)4-8-15(9-5-11)10(16)14-6-2-1-3-7-14/h1-9H2
InChIKeyCQCRCOHPGDFHKX-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.32
Rot. Bonds

About (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone

(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone (PubChem CID 123780835) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone
PubChem CID123780835
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)4-8-15(9-5-11)10(16)14-6-2-1-3-7-14/h1-9H2
InChIKeyCQCRCOHPGDFHKX-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-Carbonyldipiperidine
CID 21493
1-Ethyl-3-(3-piperidin-1-ylpropyl)-1,3-diazinan-2-one
CID 44374064
(NZ)-N-[fluoro(piperidin-1-yl)-lambda4-sulfanylidene]piperidine-1-carboxamide
CID 21732567
1-[Difluoro(piperidin-1-yl)methyl]piperidine
CID 23443576
Bis(2,2-difluoropiperidin-1-yl)methanone
CID 68882898
Bis(2-fluoropiperidin-1-yl)methanone
CID 68883073
Bis[2-(trifluoromethyl)piperidin-1-yl]methanone
CID 87726117
(4,4-Difluoropiperidin-1-yl)-piperazin-1-ylmethanone
CID 116991124
(4,4-Difluoropiperidin-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 117710739
(4,4-Difluoropiperidin-1-yl)(4-methylpiperazin-1-yl)methanone
CID 121184662
(3-Fluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200314
(3,3-Difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200315

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone (CID 123780835) is (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is CQCRCOHPGDFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)4-8-15(9-5-11)10(16)14-6-2-1-3-7-14/h1-9H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone?
(4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 232.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 123780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).