[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol

C15H17N3O3 — CID 47044516

IUPAC[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1c(N2CCCC(CO)C2)ccc2ncccc12
InChIInChI=1S/C15H17N3O3/c19-10-11-3-2-8-17(9-11)14-6-5-13-12(4-1-7-16-13)15(14)18(20)21/h1,4-7,11,19H,2-3,8-10H2
InChIKeyCTFNNHWTOBHQDH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.35
Rot. Bonds3

About [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol

[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol (PubChem CID 47044516) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
PubChem CID47044516
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1c(N2CCCC(CO)C2)ccc2ncccc12
InChIInChI=1S/C15H17N3O3/c19-10-11-3-2-8-17(9-11)14-6-5-13-12(4-1-7-16-13)15(14)18(20)21/h1,4-7,11,19H,2-3,8-10H2
InChIKeyCTFNNHWTOBHQDH-UHFFFAOYSA-N
XLogP2.35
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.35
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

N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine
CID 62547076
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850
5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
CID 71892028
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
CID 47044541
[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 9311225
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 55064569
[(3R)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidin-3-yl]methanol
CID 9311200
5-nitro-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]quinoline
CID 133300760
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
methyl 2-(5-nitroquinolin-6-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450114

Frequently Asked Questions

What is the IUPAC name of [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol (CID 47044516) is [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol is O=[N+]([O-])c1c(N2CCCC(CO)C2)ccc2ncccc12.
What is the InChIKey of [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol?
The InChIKey is CTFNNHWTOBHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-11-3-2-8-17(9-11)14-6-5-13-12(4-1-7-16-13)15(14)18(20)21/h1,4-7,11,19H,2-3,8-10H2.
What are the key properties of [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol?
[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol has a molecular weight of 287.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 47044516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).