4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol

C18H21N3O5 — CID 133362520

IUPAC4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1
InChIInChI=1S/C18H21N3O5/c1-25-15-9-13(10-16(11-15)26-2)18(22)5-7-20(8-6-18)17-4-3-14(12-19-17)21(23)24/h3-4,9-12,22H,5-8H2,1-2H3
InChIKeyKLCNTBILEWVPFC-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.49
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol

4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol (PubChem CID 133362520) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
PubChem CID133362520
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1
InChIInChI=1S/C18H21N3O5/c1-25-15-9-13(10-16(11-15)26-2)18(22)5-7-20(8-6-18)17-4-3-14(12-19-17)21(23)24/h3-4,9-12,22H,5-8H2,1-2H3
InChIKeyKLCNTBILEWVPFC-UHFFFAOYSA-N
XLogP2.49
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.49
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

4-(3,5-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)piperidin-4-ol
CID 133362602
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
CID 118275346
3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762
4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
CID 133362438
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 3165093
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
2-amino-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61259070
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3713602

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol (CID 133362520) is 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol is COc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The InChIKey is KLCNTBILEWVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-15-9-13(10-16(11-15)26-2)18(22)5-7-20(8-6-18)17-4-3-14(12-19-17)21(23)24/h3-4,9-12,22H,5-8H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol?
4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol has a molecular weight of 359.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 133362520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).