(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

C18H18F2N2O2 — CID 119944781

IUPAC(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H18F2N2O2/c19-12-5-6-17(15(20)11-12)24-13-7-9-22(10-8-13)18(23)14-3-1-2-4-16(14)21/h1-6,11,13H,7-10,21H2
InChIKeyTUWDNFTUSXPRRT-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.23
Rot. Bonds3

About (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (PubChem CID 119944781) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
PubChem CID119944781
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H18F2N2O2/c19-12-5-6-17(15(20)11-12)24-13-7-9-22(10-8-13)18(23)14-3-1-2-4-16(14)21/h1-6,11,13H,7-10,21H2
InChIKeyTUWDNFTUSXPRRT-UHFFFAOYSA-N
XLogP3.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.23
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

(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843506
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 112836686
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (CID 119944781) is (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is TUWDNFTUSXPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-12-5-6-17(15(20)11-12)24-13-7-9-22(10-8-13)18(23)14-3-1-2-4-16(14)21/h1-6,11,13H,7-10,21H2.
What are the key properties of (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 332.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 119944781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).