(1-propan-2-ylpiperidin-4-yl) nitrate

C8H16N2O3 — CID 67827225

IUPAC(1-propan-2-ylpiperidin-4-yl) nitrate
SMILESCC(C)N1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C8H16N2O3/c1-7(2)9-5-3-8(4-6-9)13-10(11)12/h7-8H,3-6H2,1-2H3
InChIKeyZAOPWGXHVRLVJR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.07
Rot. Bonds3

About (1-propan-2-ylpiperidin-4-yl) nitrate

(1-propan-2-ylpiperidin-4-yl) nitrate (PubChem CID 67827225) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl) nitrate.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl) nitrate
PubChem CID67827225
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(1-propan-2-ylpiperidin-4-yl) nitrate
SMILESCC(C)N1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C8H16N2O3/c1-7(2)9-5-3-8(4-6-9)13-10(11)12/h7-8H,3-6H2,1-2H3
InChIKeyZAOPWGXHVRLVJR-UHFFFAOYSA-N
XLogP1.07
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
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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Related Compounds

1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
1,4-di(propan-2-yl)piperidine
CID 21303253
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
1-propan-2-yl-4-(3-propan-2-ylcyclobutyl)oxypiperidine
CID 177123010
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238
6-(4-nitrooxypiperidin-1-yl)-2-oxohexanoic acid
CID 69104570
N,N-dimethyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyacetamide
CID 59988887
(3-methylcyclobutyl) nitrate
CID 166524140

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl) nitrate?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl) nitrate (CID 67827225) is (1-propan-2-ylpiperidin-4-yl) nitrate.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl) nitrate?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl) nitrate is CC(C)N1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl) nitrate?
The InChIKey is ZAOPWGXHVRLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(2)9-5-3-8(4-6-9)13-10(11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylpiperidin-4-yl) nitrate?
(1-propan-2-ylpiperidin-4-yl) nitrate has a molecular weight of 188.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl) nitrate is sourced from PubChem (CID 67827225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).