(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone

C14H17F2NO2 — CID 62662335

IUPAC(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-10-5-4-8-17(9-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyCHMRSMLRMOFUEX-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.61
Rot. Bonds3

About (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone

(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 62662335) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID62662335
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-10-5-4-8-17(9-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyCHMRSMLRMOFUEX-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(3-chloro-2-nitrophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 79832674
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone (CID 62662335) is (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cccc(F)c2F)C1.
What is the InChIKey of (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is CHMRSMLRMOFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-2-19-10-5-4-8-17(9-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 269.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62662335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).