[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone

C17H24F2N2O2 — CID 97141421

IUPAC[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N(C)C
InChIInChI=1S/C17H24F2N2O2/c1-12(20(2)3)13-8-10-21(11-9-13)16(22)14-6-4-5-7-15(14)23-17(18)19/h4-7,12-13,17H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyXBFKUCSRPYPTDH-GFCCVEGCSA-N
MW326.39 g/mol
LogP3.09
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 97141421) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone
PubChem CID97141421
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESC[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N(C)C
InChIInChI=1S/C17H24F2N2O2/c1-12(20(2)3)13-8-10-21(11-9-13)16(22)14-6-4-5-7-15(14)23-17(18)19/h4-7,12-13,17H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyXBFKUCSRPYPTDH-GFCCVEGCSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
trans-ethyl (1S,2S)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]cyclopentane-1-carboxylate
CID 97254926
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
8-[2-(difluoromethoxy)benzoyl]-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172666588

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone (CID 97141421) is [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone is C[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N(C)C.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is XBFKUCSRPYPTDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-12(20(2)3)13-8-10-21(11-9-13)16(22)14-6-4-5-7-15(14)23-17(18)19/h4-7,12-13,17H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97141421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).