(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone

C19H21FN2O — CID 3936684

IUPAC(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-14-2-8-17(9-3-14)21-18-10-12-22(13-11-18)19(23)15-4-6-16(20)7-5-15/h2-9,18,21H,10-13H2,1H3
InChIKeyZCZLRITVIOPEHR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.85
Rot. Bonds3

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

(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone (PubChem CID 3936684) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
PubChem CID3936684
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-14-2-8-17(9-3-14)21-18-10-12-22(13-11-18)19(23)15-4-6-16(20)7-5-15/h2-9,18,21H,10-13H2,1H3
InChIKeyZCZLRITVIOPEHR-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[4-(4-methylanilino)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

Related Compounds

1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 143257051
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360041
[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014469
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone (CID 3936684) is (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone is Cc1ccc(NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone?
The InChIKey is ZCZLRITVIOPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-2-8-17(9-3-14)21-18-10-12-22(13-11-18)19(23)15-4-6-16(20)7-5-15/h2-9,18,21H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 3936684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).