4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine

C19H28FN3O4 — CID 133447843

IUPAC4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(N2CCC(CN3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H28FN3O4/c1-13-10-21(11-14(2)27-13)12-15-4-6-22(7-5-15)17-9-19(26-3)16(20)8-18(17)23(24)25/h8-9,13-15H,4-7,10-12H2,1-3H3
InChIKeyBAZBDPOUJXKZOG-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.07
Rot. Bonds5

About 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine

4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 133447843) has the molecular formula C19H28FN3O4 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID133447843
Molecular FormulaC19H28FN3O4
Molecular Weight381.45 g/mol
Exact Mass381.21
IUPAC Name4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(N2CCC(CN3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H28FN3O4/c1-13-10-21(11-14(2)27-13)12-15-4-6-22(7-5-15)17-9-19(26-3)16(20)8-18(17)23(24)25/h8-9,13-15H,4-7,10-12H2,1-3H3
InChIKeyBAZBDPOUJXKZOG-UHFFFAOYSA-N
XLogP3.07
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.07
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'}

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133373817
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
1-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]methyl]azepane
CID 133378915
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-prop-2-enoxypyrrolidine
CID 133465324
2,6-dimethyl-4-[[1-[3-[(2-methylpropan-2-yl)oxy]-4-nitrophenyl]piperidin-4-yl]methyl]morpholine
CID 133447919
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
N-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 133360814
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505
[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 71970970

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine (CID 133447843) is 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine is COc1cc(N2CCC(CN3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is BAZBDPOUJXKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4/c1-13-10-21(11-14(2)27-13)12-15-4-6-22(7-5-15)17-9-19(26-3)16(20)8-18(17)23(24)25/h8-9,13-15H,4-7,10-12H2,1-3H3.
What are the key properties of 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine?
4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 381.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 133447843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).