N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine

C20H24FN3O5 — CID 133337409

IUPACN-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)cc(OC)c1
InChIInChI=1S/C20H24FN3O5/c1-27-15-8-14(9-16(10-15)28-2)22-13-4-6-23(7-5-13)19-12-17(29-3)11-18(21)20(19)24(25)26/h8-13,22H,4-7H2,1-3H3
InChIKeyCGPWUGYPCVHHRU-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.84
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine

N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine (PubChem CID 133337409) has the molecular formula C20H24FN3O5 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
PubChem CID133337409
Molecular FormulaC20H24FN3O5
Molecular Weight405.43 g/mol
Exact Mass405.17
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)cc(OC)c1
InChIInChI=1S/C20H24FN3O5/c1-27-15-8-14(9-16(10-15)28-2)22-13-4-6-23(7-5-13)19-12-17(29-3)11-18(21)20(19)24(25)26/h8-13,22H,4-7H2,1-3H3
InChIKeyCGPWUGYPCVHHRU-UHFFFAOYSA-N
XLogP3.84
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-nitrophenyl)piperidin-4-amine
CID 133337514
2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide
CID 133341450
1-(3-fluoro-5-methoxy-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 133455633
1-(2,6-dimethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133336149
1-(6-ethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133343808
1-(3-fluoro-5-methoxy-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133341208
5-[4-(3-fluoro-5-methoxy-2-nitrophenyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133341228
3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]thiophene-2-carbonitrile
CID 167963148
N-(3-fluoro-5-methoxy-2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133340517
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
N-(4-ethoxy-1-methylcyclohexyl)-1-(3-fluoro-5-methyl-2-nitrophenyl)piperidin-4-amine
CID 140566399
1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine
CID 133468927

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine (CID 133337409) is N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine is COc1cc(NC2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine?
The InChIKey is CGPWUGYPCVHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5/c1-27-15-8-14(9-16(10-15)28-2)22-13-4-6-23(7-5-13)19-12-17(29-3)11-18(21)20(19)24(25)26/h8-13,22H,4-7H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine has a molecular weight of 405.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 133337409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).