1-(5-methyl-2-nitrophenyl)piperidin-3-ol

C12H16N2O3 — CID 79020369

IUPAC1-(5-methyl-2-nitrophenyl)piperidin-3-ol
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-5-11(14(16)17)12(7-9)13-6-2-3-10(15)8-13/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyPHXHRAQAXPSWND-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.86
Rot. Bonds2

About 1-(5-methyl-2-nitrophenyl)piperidin-3-ol

1-(5-methyl-2-nitrophenyl)piperidin-3-ol (PubChem CID 79020369) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-methyl-2-nitrophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(5-methyl-2-nitrophenyl)piperidin-3-ol
PubChem CID79020369
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(5-methyl-2-nitrophenyl)piperidin-3-ol
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-5-11(14(16)17)12(7-9)13-6-2-3-10(15)8-13/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyPHXHRAQAXPSWND-UHFFFAOYSA-N
XLogP1.86
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333
3-(3-hydroxypiperidin-1-yl)-4-nitrobenzonitrile
CID 112694726
2-(3-hydroxypiperidin-1-yl)-4-methylbenzonitrile
CID 62308362
1-(4-bromo-2-nitrophenyl)piperidin-3-ol
CID 55362682
(3S)-3-methyl-1-(5-methyl-2-nitrophenyl)piperazine
CID 104977584
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
1-(3-methoxy-2-nitrophenyl)piperidin-3-ol
CID 113393178
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
(3R)-1-(3-methyl-4-nitrophenyl)piperidine-3-carboxylic acid
CID 26597625

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-nitrophenyl)piperidin-3-ol?
The IUPAC name of 1-(5-methyl-2-nitrophenyl)piperidin-3-ol (CID 79020369) is 1-(5-methyl-2-nitrophenyl)piperidin-3-ol.
What is the SMILES notation for 1-(5-methyl-2-nitrophenyl)piperidin-3-ol?
The canonical SMILES for 1-(5-methyl-2-nitrophenyl)piperidin-3-ol is Cc1ccc([N+](=O)[O-])c(N2CCCC(O)C2)c1.
What is the InChIKey of 1-(5-methyl-2-nitrophenyl)piperidin-3-ol?
The InChIKey is PHXHRAQAXPSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-4-5-11(14(16)17)12(7-9)13-6-2-3-10(15)8-13/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(5-methyl-2-nitrophenyl)piperidin-3-ol?
1-(5-methyl-2-nitrophenyl)piperidin-3-ol has a molecular weight of 236.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-nitrophenyl)piperidin-3-ol is sourced from PubChem (CID 79020369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).