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

C19H21FN2O — CID 3950968

IUPAC(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
SMILESCc1ccccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-14-4-2-3-5-18(14)21-17-10-12-22(13-11-17)19(23)15-6-8-16(20)9-7-15/h2-9,17,21H,10-13H2,1H3
InChIKeyJRHPKZMZQVXPJF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.85
Rot. Bonds3

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

(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone (PubChem CID 3950968) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
PubChem CID3950968
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
SMILESCc1ccccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-14-4-2-3-5-18(14)21-17-10-12-22(13-11-17)19(23)15-6-8-16(20)9-7-15/h2-9,17,21H,10-13H2,1H3
InChIKeyJRHPKZMZQVXPJF-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

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Related Compounds

(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 167744134
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 84585423
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 46622384

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone (CID 3950968) is (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone is Cc1ccccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The InChIKey is JRHPKZMZQVXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-4-2-3-5-18(14)21-17-10-12-22(13-11-17)19(23)15-6-8-16(20)9-7-15/h2-9,17,21H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(2-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-(2-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 3950968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).