1-(3-amino-5-nitrophenyl)piperidin-3-ol

C11H15N3O3 — CID 80779870

IUPAC1-(3-amino-5-nitrophenyl)piperidin-3-ol
SMILESNc1cc(N2CCCC(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c12-8-4-9(6-10(5-8)14(16)17)13-3-1-2-11(15)7-13/h4-6,11,15H,1-3,7,12H2
InChIKeyXRLJVDCXQBCIRS-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.14
Rot. Bonds2

About 1-(3-amino-5-nitrophenyl)piperidin-3-ol

1-(3-amino-5-nitrophenyl)piperidin-3-ol (PubChem CID 80779870) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-amino-5-nitrophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-nitrophenyl)piperidin-3-ol
PubChem CID80779870
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(3-amino-5-nitrophenyl)piperidin-3-ol
SMILESNc1cc(N2CCCC(O)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c12-8-4-9(6-10(5-8)14(16)17)13-3-1-2-11(15)7-13/h4-6,11,15H,1-3,7,12H2
InChIKeyXRLJVDCXQBCIRS-UHFFFAOYSA-N
XLogP1.14
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-nitroaniline
CID 113336395
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
CID 102986457
3-(8-azaspiro[4.5]decan-8-yl)-5-nitroaniline
CID 80810846
3-(2,6-dimethylmorpholin-4-yl)-5-nitroaniline
CID 80764863
1-[4-(3-amino-5-nitrophenyl)piperazin-1-yl]ethanone
CID 80766964
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
3-(2-ethylmorpholin-4-yl)-5-nitroaniline
CID 80788603
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-nitroaniline
CID 82753181

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-nitrophenyl)piperidin-3-ol?
The IUPAC name of 1-(3-amino-5-nitrophenyl)piperidin-3-ol (CID 80779870) is 1-(3-amino-5-nitrophenyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-nitrophenyl)piperidin-3-ol?
The canonical SMILES for 1-(3-amino-5-nitrophenyl)piperidin-3-ol is Nc1cc(N2CCCC(O)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-amino-5-nitrophenyl)piperidin-3-ol?
The InChIKey is XRLJVDCXQBCIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8-4-9(6-10(5-8)14(16)17)13-3-1-2-11(15)7-13/h4-6,11,15H,1-3,7,12H2.
What are the key properties of 1-(3-amino-5-nitrophenyl)piperidin-3-ol?
1-(3-amino-5-nitrophenyl)piperidin-3-ol has a molecular weight of 237.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-nitrophenyl)piperidin-3-ol is sourced from PubChem (CID 80779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).