(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone

C16H22FNO2 — CID 110762234

IUPAC(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2C(C)CCCC2C)cc1F
InChIInChI=1S/C16H22FNO2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7H2,1-3H3
InChIKeyHXEJNXCCLVAXCH-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.63
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone (PubChem CID 110762234) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
PubChem CID110762234
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2C(C)CCCC2C)cc1F
InChIInChI=1S/C16H22FNO2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7H2,1-3H3
InChIKeyHXEJNXCCLVAXCH-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 51391414
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 42891275
(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
CID 62682342

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone (CID 110762234) is (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone is CCOc1ccc(C(=O)N2C(C)CCCC2C)cc1F.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone?
The InChIKey is HXEJNXCCLVAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-4-20-15-9-8-13(10-14(15)17)16(19)18-11(2)6-5-7-12(18)3/h8-12H,4-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone has a molecular weight of 279.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone is sourced from PubChem (CID 110762234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).