(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C14H19F2N3O2 — CID 102971176

IUPAC(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(F)c(NN)c(F)c2)CCC1C
InChIInChI=1S/C14H19F2N3O2/c1-8-3-4-19(7-12(8)21-2)14(20)9-5-10(15)13(18-17)11(16)6-9/h5-6,8,12,18H,3-4,7,17H2,1-2H3
InChIKeyDLQFFXRLSMZCFJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.75
Rot. Bonds3

About (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102971176) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102971176
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(F)c(NN)c(F)c2)CCC1C
InChIInChI=1S/C14H19F2N3O2/c1-8-3-4-19(7-12(8)21-2)14(20)9-5-10(15)13(18-17)11(16)6-9/h5-6,8,12,18H,3-4,7,17H2,1-2H3
InChIKeyDLQFFXRLSMZCFJ-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604
(3,5-difluoro-4-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978081
(3,5-difluoro-4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588873
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957540
[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64583162
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954915
tert-butyl N-[(3S,4R)-1-[3-amino-4-(cyclopropylamino)-5-fluorobenzoyl]-4-methoxypiperidin-3-yl]carbamate
CID 166561177
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102971176) is (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cc(F)c(NN)c(F)c2)CCC1C.
What is the InChIKey of (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DLQFFXRLSMZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-8-3-4-19(7-12(8)21-2)14(20)9-5-10(15)13(18-17)11(16)6-9/h5-6,8,12,18H,3-4,7,17H2,1-2H3.
What are the key properties of (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 299.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102971176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).