(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C15H19F2NO2 — CID 53150846

IUPAC(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2NO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyVTXYKLMCXQZSSW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.85
Rot. Bonds4

About (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150846) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150846
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2NO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyVTXYKLMCXQZSSW-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150846) is (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is VTXYKLMCXQZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 283.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).