(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

C14H18FNO3 — CID 103940151

IUPAC(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C14H18FNO3/c1-2-19-11-4-3-7-16(9-11)14(18)12-6-5-10(17)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeySZHSNGVSPCOEGR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.17
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone

(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 103940151) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID103940151
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(O)cc2F)C1
InChIInChI=1S/C14H18FNO3/c1-2-19-11-4-3-7-16(9-11)14(18)12-6-5-10(17)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeySZHSNGVSPCOEGR-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone (CID 103940151) is (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is CCOC1CCCN(C(=O)c2ccc(O)cc2F)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is SZHSNGVSPCOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-11-4-3-7-16(9-11)14(18)12-6-5-10(17)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone?
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 267.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 103940151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).