(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone

C15H20FNO2 — CID 55083098

IUPAC(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-3-19-12-5-4-8-17(10-12)15(18)13-9-11(2)6-7-14(13)16/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyUDCLUHXRPFKQNO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.78
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone

(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 55083098) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID55083098
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-3-19-12-5-4-8-17(10-12)15(18)13-9-11(2)6-7-14(13)16/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyUDCLUHXRPFKQNO-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
[3-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186874
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone (CID 55083098) is (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone is CCOC1CCCN(C(=O)c2cc(C)ccc2F)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is UDCLUHXRPFKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-12-5-4-8-17(10-12)15(18)13-9-11(2)6-7-14(13)16/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 55083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).