O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine

C9H20N2O — CID 55270241

IUPACO-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
SMILESCC1CCCCN1CCCON
InChIInChI=1S/C9H20N2O/c1-9-5-2-3-6-11(9)7-4-8-12-10/h9H,2-8,10H2,1H3
InChIKeyPPKALNQCEIQPII-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.14
Rot. Bonds4

About O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine

O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine (PubChem CID 55270241) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
PubChem CID55270241
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameO-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
SMILESCC1CCCCN1CCCON
InChIInChI=1S/C9H20N2O/c1-9-5-2-3-6-11(9)7-4-8-12-10/h9H,2-8,10H2,1H3
InChIKeyPPKALNQCEIQPII-UHFFFAOYSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpiperidin-1-yl)propyl formate
CID 134501776
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
2-methyl-1-pentylazepane
CID 134994557
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
CID 23545715
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetyl]amino](313C)propanamide
CID 123219122
N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanamide
CID 123781380

Frequently Asked Questions

What is the IUPAC name of O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine?
The IUPAC name of O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine (CID 55270241) is O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine?
The canonical SMILES for O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine is CC1CCCCN1CCCON.
What is the InChIKey of O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine?
The InChIKey is PPKALNQCEIQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9-5-2-3-6-11(9)7-4-8-12-10/h9H,2-8,10H2,1H3.
What are the key properties of O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine?
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine is sourced from PubChem (CID 55270241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).