(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone

C15H19FN2O3 — CID 103297610

IUPAC(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)C(C)C2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-4-5-17(8-11(9)3)15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyGNVSGLZAHKVISU-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.16
Rot. Bonds2

About (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone

(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone (PubChem CID 103297610) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
PubChem CID103297610
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)C(C)C2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-4-5-17(8-11(9)3)15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyGNVSGLZAHKVISU-UHFFFAOYSA-N
XLogP3.16
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2-fluoro-3-methyl-5-nitrophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 103297718
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297748
(2,5-difluoro-4-nitrophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115874347
(4-chloro-3-methylpiperidin-1-yl)-(2-methyl-5-nitrophenyl)methanone
CID 114683137
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297173
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297613
(2-fluoro-3-methyl-5-nitrophenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 103297390
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluoro-3-nitrophenyl)methanone
CID 107123572
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
(3-fluoro-5-nitrophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679873
(3-aminopyrrolidin-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 62067347

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The IUPAC name of (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone (CID 103297610) is (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone.
What is the SMILES notation for (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The canonical SMILES for (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone is Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C)C(C)C2)c1F.
What is the InChIKey of (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The InChIKey is GNVSGLZAHKVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-4-5-17(8-11(9)3)15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone has a molecular weight of 294.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone is sourced from PubChem (CID 103297610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).