O-(1-methylpiperidin-3-yl)hydroxylamine

C6H14N2O — CID 45087410

IUPACO-(1-methylpiperidin-3-yl)hydroxylamine
SMILESCN1CCCC(ON)C1
InChIInChI=1S/C6H14N2O/c1-8-4-2-3-6(5-8)9-7/h6H,2-5,7H2,1H3
InChIKeyXPNVNGJDYFGKMG-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.03
Rot. Bonds1

About O-(1-methylpiperidin-3-yl)hydroxylamine

O-(1-methylpiperidin-3-yl)hydroxylamine (PubChem CID 45087410) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is O-(1-methylpiperidin-3-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-methylpiperidin-3-yl)hydroxylamine
PubChem CID45087410
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameO-(1-methylpiperidin-3-yl)hydroxylamine
SMILESCN1CCCC(ON)C1
InChIInChI=1S/C6H14N2O/c1-8-4-2-3-6(5-8)9-7/h6H,2-5,7H2,1H3
InChIKeyXPNVNGJDYFGKMG-UHFFFAOYSA-N
XLogP-0.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methoxy-1-methylpiperidine
CID 70315605
1-methyl-3-(2-methylpropoxy)piperidine
CID 155123264
(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
CID 59007577
(3S)-1-methyl-3-piperidin-4-yloxypiperidine
CID 97181123
(3R)-1-methyl-3-[[(2R)-oxiran-2-yl]methoxy]piperidine
CID 124845730
(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
CID 97179782
2-(1-methylpiperidin-3-yl)oxypropanoic acid
CID 23008476
bis[(3R)-1-methylpiperidin-3-yl] pentanedioate
CID 6363199
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
4-methoxy-1-methylazepane
CID 22967045

Frequently Asked Questions

What is the IUPAC name of O-(1-methylpiperidin-3-yl)hydroxylamine?
The IUPAC name of O-(1-methylpiperidin-3-yl)hydroxylamine (CID 45087410) is O-(1-methylpiperidin-3-yl)hydroxylamine.
What is the SMILES notation for O-(1-methylpiperidin-3-yl)hydroxylamine?
The canonical SMILES for O-(1-methylpiperidin-3-yl)hydroxylamine is CN1CCCC(ON)C1.
What is the InChIKey of O-(1-methylpiperidin-3-yl)hydroxylamine?
The InChIKey is XPNVNGJDYFGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-4-2-3-6(5-8)9-7/h6H,2-5,7H2,1H3.
What are the key properties of O-(1-methylpiperidin-3-yl)hydroxylamine?
O-(1-methylpiperidin-3-yl)hydroxylamine has a molecular weight of 130.19 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-methylpiperidin-3-yl)hydroxylamine is sourced from PubChem (CID 45087410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).