[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol

C14H20N2O4 — CID 43472931

IUPAC[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCN2CCCCC2)c(CO)c1
InChIInChI=1S/C14H20N2O4/c17-11-12-10-13(16(18)19)4-5-14(12)20-9-8-15-6-2-1-3-7-15/h4-5,10,17H,1-3,6-9,11H2
InChIKeyUHWOHDUCBGCJCO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.95
Rot. Bonds6

About [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol

[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 43472931) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
PubChem CID43472931
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCCN2CCCCC2)c(CO)c1
InChIInChI=1S/C14H20N2O4/c17-11-12-10-13(16(18)19)4-5-14(12)20-9-8-15-6-2-1-3-7-15/h4-5,10,17H,1-3,6-9,11H2
InChIKeyUHWOHDUCBGCJCO-UHFFFAOYSA-N
XLogP1.95
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
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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Related Compounds

N-methyl-1-[5-nitro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493931
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
N'-hydroxy-5-nitro-2-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 76935388
4-nitro-2-(3-piperidin-1-ylpropoxy)benzoic acid
CID 158404682
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
4-nitro-2-(2-piperidin-1-ylethoxycarbonyl)benzoic acid
CID 170219323

Frequently Asked Questions

What is the IUPAC name of [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 43472931) is [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol is O=[N+]([O-])c1ccc(OCCN2CCCCC2)c(CO)c1.
What is the InChIKey of [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol?
The InChIKey is UHWOHDUCBGCJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-11-12-10-13(16(18)19)4-5-14(12)20-9-8-15-6-2-1-3-7-15/h4-5,10,17H,1-3,6-9,11H2.
What are the key properties of [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol?
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 280.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 43472931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).