4-methyl-1-(3-nitrophenyl)piperidin-3-ol

C12H16N2O3 — CID 113347866

IUPAC4-methyl-1-(3-nitrophenyl)piperidin-3-ol
SMILESCC1CCN(c2cccc([N+](=O)[O-])c2)CC1O
InChIInChI=1S/C12H16N2O3/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(7-10)14(16)17/h2-4,7,9,12,15H,5-6,8H2,1H3
InChIKeyORKSMWVCOLTSQT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.80
Rot. Bonds2

About 4-methyl-1-(3-nitrophenyl)piperidin-3-ol

4-methyl-1-(3-nitrophenyl)piperidin-3-ol (PubChem CID 113347866) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-1-(3-nitrophenyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(3-nitrophenyl)piperidin-3-ol
PubChem CID113347866
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-methyl-1-(3-nitrophenyl)piperidin-3-ol
SMILESCC1CCN(c2cccc([N+](=O)[O-])c2)CC1O
InChIInChI=1S/C12H16N2O3/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(7-10)14(16)17/h2-4,7,9,12,15H,5-6,8H2,1H3
InChIKeyORKSMWVCOLTSQT-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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'}

Analyze 4-methyl-1-(3-nitrophenyl)piperidin-3-ol 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

1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
3,5-dimethyl-1-(3-nitrophenyl)piperazine
CID 55091283
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523
4-methyl-1-(3-nitrophenyl)piperidine-2-carboxylic acid
CID 114422221
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitrobenzenecarboximidamide
CID 102958217
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol
CID 114680943

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-nitrophenyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(3-nitrophenyl)piperidin-3-ol (CID 113347866) is 4-methyl-1-(3-nitrophenyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(3-nitrophenyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(3-nitrophenyl)piperidin-3-ol is CC1CCN(c2cccc([N+](=O)[O-])c2)CC1O.
What is the InChIKey of 4-methyl-1-(3-nitrophenyl)piperidin-3-ol?
The InChIKey is ORKSMWVCOLTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(7-10)14(16)17/h2-4,7,9,12,15H,5-6,8H2,1H3.
What are the key properties of 4-methyl-1-(3-nitrophenyl)piperidin-3-ol?
4-methyl-1-(3-nitrophenyl)piperidin-3-ol has a molecular weight of 236.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-nitrophenyl)piperidin-3-ol is sourced from PubChem (CID 113347866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).