4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine

C16H22FN3O3 — CID 2914400

IUPAC4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine
SMILESCC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H22FN3O3/c1-12-2-4-18(5-3-12)15-11-14(19-6-8-23-9-7-19)13(17)10-16(15)20(21)22/h10-12H,2-9H2,1H3
InChIKeyCVBCGCHISYISNG-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.81
Rot. Bonds3

About 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine

4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine (PubChem CID 2914400) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine
PubChem CID2914400
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine
SMILESCC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H22FN3O3/c1-12-2-4-18(5-3-12)15-11-14(19-6-8-23-9-7-19)13(17)10-16(15)20(21)22/h10-12H,2-9H2,1H3
InChIKeyCVBCGCHISYISNG-UHFFFAOYSA-N
XLogP2.81
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
4-(2,4,6-Trinitrophenyl)morpholine
CID 3103777
4-(2-Nitro-5-piperidin-1-ylphenyl)morpholine
CID 2888807
Cambridge id 5931444
CID 2877190
4-(2,4-Dinitrophenyl)morpholine
CID 221798
Ethyl 4-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]piperazine-1-carboxylate
CID 2877180
1-{4-[4-Fluoro-2-nitro-5-(piperidin-1-yl)phenyl]piperazin-1-yl}propan-1-one
CID 2877295
1-{4-[4-Fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}propan-1-one
CID 2877494
1-(4-[4-Fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl)ethan-1-one
CID 3396000
1-[4-Fluoro-5-(4-methyl-1-piperazinyl)-2-nitrophenyl]-4-propionylpiperazine
CID 2899456
4-[4-Fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]morpholine
CID 2913960
N,N-dimethyl-4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-sulfonamide
CID 2942180

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine?
The IUPAC name of 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine (CID 2914400) is 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine is CC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine?
The InChIKey is CVBCGCHISYISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-12-2-4-18(5-3-12)15-11-14(19-6-8-23-9-7-19)13(17)10-16(15)20(21)22/h10-12H,2-9H2,1H3.
What are the key properties of 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine?
4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine has a molecular weight of 323.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]morpholine is sourced from PubChem (CID 2914400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).