(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine

C12H17N3O — CID 124501946

IUPAC(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCCCC2)ncc1/C=N\O
InChIInChI=1S/C12H17N3O/c1-10-7-12(13-8-11(10)9-14-16)15-5-3-2-4-6-15/h7-9,16H,2-6H2,1H3/b14-9-
InChIKeyHJSTZMGAFRQRRA-ZROIWOOFSA-N
MW219.29 g/mol
LogP2.19
Rot. Bonds2

About (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 124501946) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID124501946
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCCCC2)ncc1/C=N\O
InChIInChI=1S/C12H17N3O/c1-10-7-12(13-8-11(10)9-14-16)15-5-3-2-4-6-15/h7-9,16H,2-6H2,1H3/b14-9-
InChIKeyHJSTZMGAFRQRRA-ZROIWOOFSA-N
XLogP2.19
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine (CID 124501946) is (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine is Cc1cc(N2CCCCC2)ncc1/C=N\O.
What is the InChIKey of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is HJSTZMGAFRQRRA-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-7-12(13-8-11(10)9-14-16)15-5-3-2-4-6-15/h7-9,16H,2-6H2,1H3/b14-9-.
What are the key properties of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 219.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 124501946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).