hydroxylamine;4-piperidin-1-ylbutan-2-ol

C9H22N2O2 — CID 67040218

IUPAChydroxylamine;4-piperidin-1-ylbutan-2-ol
SMILESCC(O)CCN1CCCCC1.NO
InChIInChI=1S/C9H19NO.H3NO/c1-9(11)5-8-10-6-3-2-4-7-10;1-2/h9,11H,2-8H2,1H3;2H,1H2
InChIKeyZCPPFDDTIVWCNT-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.58
Rot. Bonds3

About hydroxylamine;4-piperidin-1-ylbutan-2-ol

hydroxylamine;4-piperidin-1-ylbutan-2-ol (PubChem CID 67040218) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is hydroxylamine;4-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Namehydroxylamine;4-piperidin-1-ylbutan-2-ol
PubChem CID67040218
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namehydroxylamine;4-piperidin-1-ylbutan-2-ol
SMILESCC(O)CCN1CCCCC1.NO
InChIInChI=1S/C9H19NO.H3NO/c1-9(11)5-8-10-6-3-2-4-7-10;1-2/h9,11H,2-8H2,1H3;2H,1H2
InChIKeyZCPPFDDTIVWCNT-UHFFFAOYSA-N
XLogP0.58
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxylamine;4-piperidin-1-ylbutan-2-ol?
The IUPAC name of hydroxylamine;4-piperidin-1-ylbutan-2-ol (CID 67040218) is hydroxylamine;4-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for hydroxylamine;4-piperidin-1-ylbutan-2-ol?
The canonical SMILES for hydroxylamine;4-piperidin-1-ylbutan-2-ol is CC(O)CCN1CCCCC1.NO.
What is the InChIKey of hydroxylamine;4-piperidin-1-ylbutan-2-ol?
The InChIKey is ZCPPFDDTIVWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.H3NO/c1-9(11)5-8-10-6-3-2-4-7-10;1-2/h9,11H,2-8H2,1H3;2H,1H2.
What are the key properties of hydroxylamine;4-piperidin-1-ylbutan-2-ol?
hydroxylamine;4-piperidin-1-ylbutan-2-ol has a molecular weight of 190.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;4-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 67040218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).