(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C14H17FN2O4 — CID 63977656

IUPAC(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H17FN2O4/c1-21-9-10-4-6-16(7-5-10)14(18)11-2-3-12(15)13(8-11)17(19)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUUHMMFNXMYTZHJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.23
Rot. Bonds4

About (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63977656) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63977656
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H17FN2O4/c1-21-9-10-4-6-16(7-5-10)14(18)11-2-3-12(15)13(8-11)17(19)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUUHMMFNXMYTZHJ-UHFFFAOYSA-N
XLogP2.23
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-fluoro-3-nitrophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570122
(4-hydrazinyl-3-nitrophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64581775
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
[3-(dimethylamino)pyrrolidin-1-yl]-(4-fluoro-3-nitrophenyl)methanone
CID 63165483
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 104784729
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
[4-(methylaminomethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 119545564
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119646891
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64723144
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone;hydrochloride
CID 119647028
(3,5-difluoro-4-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978081

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63977656) is (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is UUHMMFNXMYTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-9-10-4-6-16(7-5-10)14(18)11-2-3-12(15)13(8-11)17(19)20/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 296.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63977656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).