(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol

C14H15N3O3 — CID 107225336

IUPAC(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(N3CCC[C@H](O)C3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-12-2-1-7-16(9-12)14-6-3-10-8-11(17(19)20)4-5-13(10)15-14/h3-6,8,12,18H,1-2,7,9H2/t12-/m0/s1
InChIKeyWLJOXYJABDBOAC-LBPRGKRZSA-N
MW273.29 g/mol
LogP2.10
Rot. Bonds2

About (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol

(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol (PubChem CID 107225336) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
PubChem CID107225336
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(N3CCC[C@H](O)C3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-12-2-1-7-16(9-12)14-6-3-10-8-11(17(19)20)4-5-13(10)15-14/h3-6,8,12,18H,1-2,7,9H2/t12-/m0/s1
InChIKeyWLJOXYJABDBOAC-LBPRGKRZSA-N
XLogP2.10
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
CID 133357796

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol (CID 107225336) is (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol is O=[N+]([O-])c1ccc2nc(N3CCC[C@H](O)C3)ccc2c1.
What is the InChIKey of (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol?
The InChIKey is WLJOXYJABDBOAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12-2-1-7-16(9-12)14-6-3-10-8-11(17(19)20)4-5-13(10)15-14/h3-6,8,12,18H,1-2,7,9H2/t12-/m0/s1.
What are the key properties of (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol?
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol has a molecular weight of 273.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 107225336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).