nitric acid;1-prop-2-enylpiperidin-4-ol

C8H16N2O4 — CID 70399026

IUPACnitric acid;1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)CC1.O=[N+]([O-])O
InChIInChI=1S/C8H15NO.HNO3/c1-2-5-9-6-3-8(10)4-7-9;2-1(3)4/h2,8,10H,1,3-7H2;(H,2,3,4)
InChIKeyQVAXXOIXBFKDPV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.28
Rot. Bonds2

About nitric acid;1-prop-2-enylpiperidin-4-ol

nitric acid;1-prop-2-enylpiperidin-4-ol (PubChem CID 70399026) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is nitric acid;1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Namenitric acid;1-prop-2-enylpiperidin-4-ol
PubChem CID70399026
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namenitric acid;1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)CC1.O=[N+]([O-])O
InChIInChI=1S/C8H15NO.HNO3/c1-2-5-9-6-3-8(10)4-7-9;2-1(3)4/h2,8,10H,1,3-7H2;(H,2,3,4)
InChIKeyQVAXXOIXBFKDPV-UHFFFAOYSA-N
XLogP0.28
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 nitric acid;1-prop-2-enylpiperidin-4-ol?
The IUPAC name of nitric acid;1-prop-2-enylpiperidin-4-ol (CID 70399026) is nitric acid;1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for nitric acid;1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for nitric acid;1-prop-2-enylpiperidin-4-ol is C=CCN1CCC(O)CC1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;1-prop-2-enylpiperidin-4-ol?
The InChIKey is QVAXXOIXBFKDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.HNO3/c1-2-5-9-6-3-8(10)4-7-9;2-1(3)4/h2,8,10H,1,3-7H2;(H,2,3,4).
What are the key properties of nitric acid;1-prop-2-enylpiperidin-4-ol?
nitric acid;1-prop-2-enylpiperidin-4-ol has a molecular weight of 204.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 70399026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).