(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone

C14H17FN2O3 — CID 62682342

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,3-5H2,1-2H3
InChIKeyCZLQFJSHBKURPX-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.14
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone (PubChem CID 62682342) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
PubChem CID62682342
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,3-5H2,1-2H3
InChIKeyCZLQFJSHBKURPX-UHFFFAOYSA-N
XLogP3.14
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.14
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

(4-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6941661
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7353856
(3-fluoro-4-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762184
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 104968273
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-fluoro-4-nitrophenyl)methanone
CID 62682006
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968296
4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzaldehyde
CID 87553068
1-(3-fluoro-4-nitrophenyl)sulfonyl-2,6-dimethylpiperidine
CID 82846610
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone (CID 62682342) is (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone is CC1CCCC(C)N1C(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone?
The InChIKey is CZLQFJSHBKURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,3-5H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone has a molecular weight of 280.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone is sourced from PubChem (CID 62682342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).