N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine

C8H18N2O — CID 59870766

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
SMILESCC(NO)C1CCN(C)CC1
InChIInChI=1S/C8H18N2O/c1-7(9-11)8-3-5-10(2)6-4-8/h7-9,11H,3-6H2,1-2H3
InChIKeyIOFBPPCOJHGHKV-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.70
Rot. Bonds2

About N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine

N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine (PubChem CID 59870766) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
PubChem CID59870766
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
SMILESCC(NO)C1CCN(C)CC1
InChIInChI=1S/C8H18N2O/c1-7(9-11)8-3-5-10(2)6-4-8/h7-9,11H,3-6H2,1-2H3
InChIKeyIOFBPPCOJHGHKV-UHFFFAOYSA-N
XLogP0.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopentylethyl)hydroxylamine
CID 82687536
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
(1-methylpiperidin-4-yl)methanediol
CID 21366498
N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
CID 114415483
1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 116859527
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
CID 66169642
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
CID 43308231

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine (CID 59870766) is N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine is CC(NO)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine?
The InChIKey is IOFBPPCOJHGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(9-11)8-3-5-10(2)6-4-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine?
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine has a molecular weight of 158.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 59870766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).