(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone

C14H18F2N2O2 — CID 63185244

IUPAC(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O2/c1-2-20-10-3-5-18(6-4-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3
InChIKeySAQZHRPVMBUVRN-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.19
Rot. Bonds3

About (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone

(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 63185244) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID63185244
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O2/c1-2-20-10-3-5-18(6-4-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3
InChIKeySAQZHRPVMBUVRN-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 63185244) is (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1.
What is the InChIKey of (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is SAQZHRPVMBUVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-20-10-3-5-18(6-4-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3.
What are the key properties of (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 284.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 63185244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).