1-[(2-nitrophenyl)methyl]piperidin-4-ol

C12H16N2O3 — CID 765018

IUPAC1-[(2-nitrophenyl)methyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C12H16N2O3/c15-11-5-7-13(8-6-11)9-10-3-1-2-4-12(10)14(16)17/h1-4,11,15H,5-9H2
InChIKeyWTSNTDKLJQABLL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.55
Rot. Bonds3

About 1-[(2-nitrophenyl)methyl]piperidin-4-ol

1-[(2-nitrophenyl)methyl]piperidin-4-ol (PubChem CID 765018) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methyl]piperidin-4-ol
PubChem CID765018
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(2-nitrophenyl)methyl]piperidin-4-ol
SMILESO=[N+]([O-])c1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C12H16N2O3/c15-11-5-7-13(8-6-11)9-10-3-1-2-4-12(10)14(16)17/h1-4,11,15H,5-9H2
InChIKeyWTSNTDKLJQABLL-UHFFFAOYSA-N
XLogP1.55
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-nitrophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-nitrophenyl)methyl]piperidin-4-ol (CID 765018) is 1-[(2-nitrophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-nitrophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-nitrophenyl)methyl]piperidin-4-ol is O=[N+]([O-])c1ccccc1CN1CCC(O)CC1.
What is the InChIKey of 1-[(2-nitrophenyl)methyl]piperidin-4-ol?
The InChIKey is WTSNTDKLJQABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-5-7-13(8-6-11)9-10-3-1-2-4-12(10)14(16)17/h1-4,11,15H,5-9H2.
What are the key properties of 1-[(2-nitrophenyl)methyl]piperidin-4-ol?
1-[(2-nitrophenyl)methyl]piperidin-4-ol has a molecular weight of 236.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 765018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).