2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine

C17H19N3O3 — CID 133349539

IUPAC2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(N2CCC(COc3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c21-20(22)16-6-4-15(5-7-16)19-11-8-14(9-12-19)13-23-17-3-1-2-10-18-17/h1-7,10,14H,8-9,11-13H2
InChIKeyHECUBNOJEZAODS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.29
Rot. Bonds5

About 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine

2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine (PubChem CID 133349539) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
PubChem CID133349539
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(N2CCC(COc3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c21-20(22)16-6-4-15(5-7-16)19-11-8-14(9-12-19)13-23-17-3-1-2-10-18-17/h1-7,10,14H,8-9,11-13H2
InChIKeyHECUBNOJEZAODS-UHFFFAOYSA-N
XLogP3.29
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588
tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
CID 176705511
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
1-(4-nitrophenyl)-4-propylazepane
CID 163444919
N-methyl-4-nitro-N-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]aniline
CID 144902442

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine (CID 133349539) is 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine is O=[N+]([O-])c1ccc(N2CCC(COc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine?
The InChIKey is HECUBNOJEZAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-20(22)16-6-4-15(5-7-16)19-11-8-14(9-12-19)13-23-17-3-1-2-10-18-17/h1-7,10,14H,8-9,11-13H2.
What are the key properties of 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine?
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine has a molecular weight of 313.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 133349539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).