4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine

C18H26FN3O4 — CID 150364793

IUPAC4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine
SMILESCC(C)Oc1c(F)cc([N+](=O)[O-])cc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C18H26FN3O4/c1-13(2)26-18-16(19)11-15(22(23)24)12-17(18)21-5-3-14(4-6-21)20-7-9-25-10-8-20/h11-14H,3-10H2,1-2H3
InChIKeyGWLXOKOWBQYKSE-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.82
Rot. Bonds5

About 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine

4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine (PubChem CID 150364793) has the molecular formula C18H26FN3O4 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine
PubChem CID150364793
Molecular FormulaC18H26FN3O4
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine
SMILESCC(C)Oc1c(F)cc([N+](=O)[O-])cc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C18H26FN3O4/c1-13(2)26-18-16(19)11-15(22(23)24)12-17(18)21-5-3-14(4-6-21)20-7-9-25-10-8-20/h11-14H,3-10H2,1-2H3
InChIKeyGWLXOKOWBQYKSE-UHFFFAOYSA-N
XLogP2.82
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
CID 126836069
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
CID 144594517
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
4-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 133487540
ethane;1-(2-fluoro-4-nitrophenyl)-4-(3-methylazetidin-1-yl)piperidine
CID 170748946
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
3-(dimethoxymethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidine
CID 176705419
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369223
1-[1-(3,5-difluoro-2-nitrophenyl)piperidin-4-yl]ethanamine
CID 115509733

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine (CID 150364793) is 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine is CC(C)Oc1c(F)cc([N+](=O)[O-])cc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine?
The InChIKey is GWLXOKOWBQYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O4/c1-13(2)26-18-16(19)11-15(22(23)24)12-17(18)21-5-3-14(4-6-21)20-7-9-25-10-8-20/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine?
4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine has a molecular weight of 367.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 150364793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).