(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone

C18H25FN2O — CID 754219

IUPAC(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC1CCN(C2CCN(C(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-14-6-10-20(11-7-14)15-8-12-21(13-9-15)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyFLKSSJHSTLQJMJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.16
Rot. Bonds2

About (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone

(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 754219) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID754219
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC1CCN(C2CCN(C(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-14-6-10-20(11-7-14)15-8-12-21(13-9-15)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyFLKSSJHSTLQJMJ-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)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 (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone (CID 754219) is (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is CC1CCN(C2CCN(C(=O)c3ccccc3F)CC2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is FLKSSJHSTLQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-14-6-10-20(11-7-14)15-8-12-21(13-9-15)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 304.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 754219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).