[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone

C14H22F2N2O2 — CID 96569190

IUPAC[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCN(CC(F)F)C1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22F2N2O2/c1-17(10-13(15)16)11-5-7-18(8-6-11)14(19)12-4-2-3-9-20-12/h4,11,13H,2-3,5-10H2,1H3
InChIKeyPKARMQVTSNRSEW-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.87
Rot. Bonds4

About [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone

[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 96569190) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID96569190
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESCN(CC(F)F)C1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22F2N2O2/c1-17(10-13(15)16)11-5-7-18(8-6-11)14(19)12-4-2-3-9-20-12/h4,11,13H,2-3,5-10H2,1H3
InChIKeyPKARMQVTSNRSEW-UHFFFAOYSA-N
XLogP1.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 96569190) is [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone is CN(CC(F)F)C1CCN(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is PKARMQVTSNRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-17(10-13(15)16)11-5-7-18(8-6-11)14(19)12-4-2-3-9-20-12/h4,11,13H,2-3,5-10H2,1H3.
What are the key properties of [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 288.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 96569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).