N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine

C8H18N2O — CID 105431089

IUPACN-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
SMILESCN(O)CC1CCCCN1C
InChIInChI=1S/C8H18N2O/c1-9-6-4-3-5-8(9)7-10(2)11/h8,11H,3-7H2,1-2H3
InChIKeyCAOFQJPSFFXXPQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.79
Rot. Bonds2

About N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine

N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine (PubChem CID 105431089) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
PubChem CID105431089
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
SMILESCN(O)CC1CCCCN1C
InChIInChI=1S/C8H18N2O/c1-9-6-4-3-5-8(9)7-10(2)11/h8,11H,3-7H2,1-2H3
InChIKeyCAOFQJPSFFXXPQ-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.79
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

1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
2-[cyclopropyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]ethanol
CID 96553275
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
1-[(1-methylpiperidin-2-yl)methyl]cyclopropan-1-ol
CID 84765666
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 66565785
2-amino-N-cyclopropyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]acetamide
CID 96553400

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine (CID 105431089) is N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine is CN(O)CC1CCCCN1C.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine?
The InChIKey is CAOFQJPSFFXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-6-4-3-5-8(9)7-10(2)11/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine?
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine has a molecular weight of 158.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 105431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).