(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol

C15H19N5O3 — CID 133395692

IUPAC(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N5O3/c1-18-10-7-17-15(18)13(21)11-4-8-19(9-5-11)14-12(20(22)23)3-2-6-16-14/h2-3,6-7,10-11,13,21H,4-5,8-9H2,1H3
InChIKeyRZHCNCUTAFYFPG-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.67
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 133395692) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
PubChem CID133395692
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19N5O3/c1-18-10-7-17-15(18)13(21)11-4-8-19(9-5-11)14-12(20(22)23)3-2-6-16-14/h2-3,6-7,10-11,13,21H,4-5,8-9H2,1H3
InChIKeyRZHCNCUTAFYFPG-UHFFFAOYSA-N
XLogP1.67
TPSA97.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol (CID 133395692) is (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is RZHCNCUTAFYFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-18-10-7-17-15(18)13(21)11-4-8-19(9-5-11)14-12(20(22)23)3-2-6-16-14/h2-3,6-7,10-11,13,21H,4-5,8-9H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 317.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 133395692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).