(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine

C8H17N2O+ — CID 7289638

IUPAC(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine
SMILESC[C@@H]1C/C(=N/O)[C@@H](C)C[NH+]1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/p+1/b9-8-/t6-,7+/m0/s1
InChIKeyONKISBIHPDPWJL-KNJDTQEKSA-O
MW157.24 g/mol
LogP-0.24
Rot. Bonds

About (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine

(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine (PubChem CID 7289638) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine
PubChem CID7289638
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine
SMILESC[C@@H]1C/C(=N/O)[C@@H](C)C[NH+]1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/p+1/b9-8-/t6-,7+/m0/s1
InChIKeyONKISBIHPDPWJL-KNJDTQEKSA-O
XLogP-0.24
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine (CID 7289638) is (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine is C[C@@H]1C/C(=N/O)[C@@H](C)C[NH+]1C.
What is the InChIKey of (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine?
The InChIKey is ONKISBIHPDPWJL-KNJDTQEKSA-O. The full InChI is InChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/p+1/b9-8-/t6-,7+/m0/s1.
What are the key properties of (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine?
(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine has a molecular weight of 157.24 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine is sourced from PubChem (CID 7289638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).