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

C11H14N2O3 — CID 60981138

IUPAC1-(3-nitrophenyl)piperidin-3-ol
SMILESO=[N+]([O-])c1cccc(N2CCCC(O)C2)c1
InChIInChI=1S/C11H14N2O3/c14-11-5-2-6-12(8-11)9-3-1-4-10(7-9)13(15)16/h1,3-4,7,11,14H,2,5-6,8H2
InChIKeyAAVKXDZKTNFDCL-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.56
Rot. Bonds2

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

1-(3-nitrophenyl)piperidin-3-ol (PubChem CID 60981138) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(3-nitrophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-nitrophenyl)piperidin-3-ol
PubChem CID60981138
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(3-nitrophenyl)piperidin-3-ol
SMILESO=[N+]([O-])c1cccc(N2CCCC(O)C2)c1
InChIInChI=1S/C11H14N2O3/c14-11-5-2-6-12(8-11)9-3-1-4-10(7-9)13(15)16/h1,3-4,7,11,14H,2,5-6,8H2
InChIKeyAAVKXDZKTNFDCL-UHFFFAOYSA-N
XLogP1.56
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.56
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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Related Compounds

1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
1-(3-amino-5-nitrophenyl)piperidin-3-ol
CID 80779870
1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
CID 60977775
2-(3-hydroxypiperidin-1-yl)-1-(3-nitrophenyl)ethanone
CID 62036971
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)piperidin-3-ol?
The IUPAC name of 1-(3-nitrophenyl)piperidin-3-ol (CID 60981138) is 1-(3-nitrophenyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-nitrophenyl)piperidin-3-ol?
The canonical SMILES for 1-(3-nitrophenyl)piperidin-3-ol is O=[N+]([O-])c1cccc(N2CCCC(O)C2)c1.
What is the InChIKey of 1-(3-nitrophenyl)piperidin-3-ol?
The InChIKey is AAVKXDZKTNFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11-5-2-6-12(8-11)9-3-1-4-10(7-9)13(15)16/h1,3-4,7,11,14H,2,5-6,8H2.
What are the key properties of 1-(3-nitrophenyl)piperidin-3-ol?
1-(3-nitrophenyl)piperidin-3-ol has a molecular weight of 222.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)piperidin-3-ol is sourced from PubChem (CID 60981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).