N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine

C7H14N2O — CID 173346253

IUPACN-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine
SMILESCC1CCN[C@@H](C=NO)C1
InChIInChI=1S/C7H14N2O/c1-6-2-3-8-7(4-6)5-9-10/h5-8,10H,2-4H2,1H3/t6?,7-/m1/s1
InChIKeyJRJXTJSVRWZCDR-COBSHVIPSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds1

About N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine

N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine (PubChem CID 173346253) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine
PubChem CID173346253
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine
SMILESCC1CCN[C@@H](C=NO)C1
InChIInChI=1S/C7H14N2O/c1-6-2-3-8-7(4-6)5-9-10/h5-8,10H,2-4H2,1H3/t6?,7-/m1/s1
InChIKeyJRJXTJSVRWZCDR-COBSHVIPSA-N
XLogP0.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine (CID 173346253) is N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine is CC1CCN[C@@H](C=NO)C1.
What is the InChIKey of N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine?
The InChIKey is JRJXTJSVRWZCDR-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-2-3-8-7(4-6)5-9-10/h5-8,10H,2-4H2,1H3/t6?,7-/m1/s1.
What are the key properties of N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine?
N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine has a molecular weight of 142.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 173346253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).