1-methylpiperidin-4-ol;nitric acid

C6H14N2O4 — CID 69230508

IUPAC1-methylpiperidin-4-ol;nitric acid
SMILESCN1CCC(O)CC1.O=[N+]([O-])O
InChIInChI=1S/C6H13NO.HNO3/c1-7-4-2-6(8)3-5-7;2-1(3)4/h6,8H,2-5H2,1H3;(H,2,3,4)
InChIKeyDMWNSJGKUMCNSI-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.27
Rot. Bonds

About 1-methylpiperidin-4-ol;nitric acid

1-methylpiperidin-4-ol;nitric acid (PubChem CID 69230508) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methylpiperidin-4-ol;nitric acid.

Molecular Properties

Compound Name1-methylpiperidin-4-ol;nitric acid
PubChem CID69230508
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name1-methylpiperidin-4-ol;nitric acid
SMILESCN1CCC(O)CC1.O=[N+]([O-])O
InChIInChI=1S/C6H13NO.HNO3/c1-7-4-2-6(8)3-5-7;2-1(3)4/h6,8H,2-5H2,1H3;(H,2,3,4)
InChIKeyDMWNSJGKUMCNSI-UHFFFAOYSA-N
XLogP-0.27
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-ol;nitric acid?
The IUPAC name of 1-methylpiperidin-4-ol;nitric acid (CID 69230508) is 1-methylpiperidin-4-ol;nitric acid.
What is the SMILES notation for 1-methylpiperidin-4-ol;nitric acid?
The canonical SMILES for 1-methylpiperidin-4-ol;nitric acid is CN1CCC(O)CC1.O=[N+]([O-])O.
What is the InChIKey of 1-methylpiperidin-4-ol;nitric acid?
The InChIKey is DMWNSJGKUMCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.HNO3/c1-7-4-2-6(8)3-5-7;2-1(3)4/h6,8H,2-5H2,1H3;(H,2,3,4).
What are the key properties of 1-methylpiperidin-4-ol;nitric acid?
1-methylpiperidin-4-ol;nitric acid has a molecular weight of 178.19 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-ol;nitric acid is sourced from PubChem (CID 69230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).