[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

C17H23F2NO3 — CID 51391414

IUPAC[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-4-22-15-10-13(8-9-14(15)23-17(18)19)16(21)20-11(2)6-5-7-12(20)3/h8-12,17H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyAPMYXUXXNRTJJH-VXGBXAGGSA-N
MW327.37 g/mol
LogP4.09
Rot. Bonds5

About [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 51391414) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID51391414
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO3/c1-4-22-15-10-13(8-9-14(15)23-17(18)19)16(21)20-11(2)6-5-7-12(20)3/h8-12,17H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyAPMYXUXXNRTJJH-VXGBXAGGSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712143
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416204
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712119
[4-(difluoromethoxy)-3-ethoxyphenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292969
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanone
CID 19293193
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 51391414) is [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is APMYXUXXNRTJJH-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-4-22-15-10-13(8-9-14(15)23-17(18)19)16(21)20-11(2)6-5-7-12(20)3/h8-12,17H,4-7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 327.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 51391414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).