2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol

C13H18N2O4 — CID 116987625

IUPAC2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H18N2O4/c1-19-12-7-10(5-9-3-2-4-14-8-9)6-11(13(12)16)15(17)18/h6-7,9,14,16H,2-5,8H2,1H3
InChIKeyOGTNUFDFADPNDZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds4

About 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol

2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol (PubChem CID 116987625) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol
PubChem CID116987625
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H18N2O4/c1-19-12-7-10(5-9-3-2-4-14-8-9)6-11(13(12)16)15(17)18/h6-7,9,14,16H,2-5,8H2,1H3
InChIKeyOGTNUFDFADPNDZ-UHFFFAOYSA-N
XLogP1.85
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}

Analyze 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-6-nitro-4-(piperidin-4-ylmethyl)phenol
CID 116987626
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(7-nitro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 116987864
2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
CID 119460070
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-piperazin-1-ylpropan-1-one
CID 112720332
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetonitrile
CID 116987650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol (CID 116987625) is 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol is COc1cc(CC2CCCNC2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is OGTNUFDFADPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-12-7-10(5-9-3-2-4-14-8-9)6-11(13(12)16)15(17)18/h6-7,9,14,16H,2-5,8H2,1H3.
What are the key properties of 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol?
2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 266.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 116987625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).