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

C12H16N2O3 — CID 117344886

IUPAC4-nitro-2-(piperidin-4-ylmethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(CC2CCNCC2)c1
InChIInChI=1S/C12H16N2O3/c15-12-2-1-11(14(16)17)8-10(12)7-9-3-5-13-6-4-9/h1-2,8-9,13,15H,3-7H2
InChIKeyYZUHNIZTJOMVGO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.84
Rot. Bonds3

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

4-nitro-2-(piperidin-4-ylmethyl)phenol (PubChem CID 117344886) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-nitro-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-nitro-2-(piperidin-4-ylmethyl)phenol
PubChem CID117344886
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-nitro-2-(piperidin-4-ylmethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(CC2CCNCC2)c1
InChIInChI=1S/C12H16N2O3/c15-12-2-1-11(14(16)17)8-10(12)7-9-3-5-13-6-4-9/h1-2,8-9,13,15H,3-7H2
InChIKeyYZUHNIZTJOMVGO-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-2-ylmethyl)phenol
CID 117344884
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929870
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-[7-(carboxymethyl)-4-[(2-hydroxy-5-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 138673497
dicopper;2-[[7-[(2-hydroxy-5-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-nitrophenolate;4-nitro-2-[[7-[(5-nitro-2-oxidophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenolate;perchlorate;trihydrate
CID 139159274
1-(cyclopropylmethyl)-2-(methylsulfinylmethyl)-4-nitrobenzene
CID 161151625

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 4-nitro-2-(piperidin-4-ylmethyl)phenol (CID 117344886) is 4-nitro-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 4-nitro-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 4-nitro-2-(piperidin-4-ylmethyl)phenol is O=[N+]([O-])c1ccc(O)c(CC2CCNCC2)c1.
What is the InChIKey of 4-nitro-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is YZUHNIZTJOMVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12-2-1-11(14(16)17)8-10(12)7-9-3-5-13-6-4-9/h1-2,8-9,13,15H,3-7H2.
What are the key properties of 4-nitro-2-(piperidin-4-ylmethyl)phenol?
4-nitro-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 236.27 g/mol, XLogP of 1.84, 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-4-ylmethyl)phenol is sourced from PubChem (CID 117344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).