2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine

C17H19N3O3 — CID 2728018

IUPAC2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine
SMILESCOc1ccccc1C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H19N3O3/c1-23-16-7-3-2-5-14(16)13-8-11-19(12-9-13)17-15(20(21)22)6-4-10-18-17/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyKUYHODCSVOHJGX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine

2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine (PubChem CID 2728018) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine
PubChem CID2728018
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine
SMILESCOc1ccccc1C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H19N3O3/c1-23-16-7-3-2-5-14(16)13-8-11-19(12-9-13)17-15(20(21)22)6-4-10-18-17/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyKUYHODCSVOHJGX-UHFFFAOYSA-N
XLogP3.38
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine (CID 2728018) is 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine is COc1ccccc1C1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine?
The InChIKey is KUYHODCSVOHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-16-7-3-2-5-14(16)13-8-11-19(12-9-13)17-15(20(21)22)6-4-10-18-17/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine?
2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine has a molecular weight of 313.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitropyridine is sourced from PubChem (CID 2728018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).