4-nitro-2-(piperidin-2-ylmethyl)phenol

C12H16N2O3 — CID 117344884

IUPAC4-nitro-2-(piperidin-2-ylmethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(CC2CCCCN2)c1
InChIInChI=1S/C12H16N2O3/c15-12-5-4-11(14(16)17)8-9(12)7-10-3-1-2-6-13-10/h4-5,8,10,13,15H,1-3,6-7H2
InChIKeyVLEUAGVXCNKZRU-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds3

About 4-nitro-2-(piperidin-2-ylmethyl)phenol

4-nitro-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117344884) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-nitro-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-nitro-2-(piperidin-2-ylmethyl)phenol
PubChem CID117344884
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-nitro-2-(piperidin-2-ylmethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(CC2CCCCN2)c1
InChIInChI=1S/C12H16N2O3/c15-12-5-4-11(14(16)17)8-9(12)7-10-3-1-2-6-13-10/h4-5,8,10,13,15H,1-3,6-7H2
InChIKeyVLEUAGVXCNKZRU-UHFFFAOYSA-N
XLogP1.99
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

4-nitro-2-(piperidin-4-ylmethyl)phenol
CID 117344886
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97177886
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
2-bromo-N-methyl-5-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 106627285
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-nitro-2-(piperidin-2-ylmethyl)phenol (CID 117344884) is 4-nitro-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-nitro-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-nitro-2-(piperidin-2-ylmethyl)phenol is O=[N+]([O-])c1ccc(O)c(CC2CCCCN2)c1.
What is the InChIKey of 4-nitro-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is VLEUAGVXCNKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12-5-4-11(14(16)17)8-9(12)7-10-3-1-2-6-13-10/h4-5,8,10,13,15H,1-3,6-7H2.
What are the key properties of 4-nitro-2-(piperidin-2-ylmethyl)phenol?
4-nitro-2-(piperidin-2-ylmethyl)phenol has a molecular weight of 236.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117344884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).