(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

C22H29N3O2 — CID 56672072

IUPAC(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2C(C)CCCC2C)c(OCc2ccccc2C)n1
InChIInChI=1S/C22H29N3O2/c1-15-8-5-6-11-19(15)14-27-22-20(13-12-16(2)23-22)21(24-26)25-17(3)9-7-10-18(25)4/h5-6,8,11-13,17-18,26H,7,9-10,14H2,1-4H3/b24-21-
InChIKeyKQUJROSURWVEQT-FLFQWRMESA-N
MW367.49 g/mol
LogP4.68
Rot. Bonds4

About (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56672072) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56672072
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2C(C)CCCC2C)c(OCc2ccccc2C)n1
InChIInChI=1S/C22H29N3O2/c1-15-8-5-6-11-19(15)14-27-22-20(13-12-16(2)23-22)21(24-26)25-17(3)9-7-10-18(25)4/h5-6,8,11-13,17-18,26H,7,9-10,14H2,1-4H3/b24-21-
InChIKeyKQUJROSURWVEQT-FLFQWRMESA-N
XLogP4.68
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (CID 56672072) is (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2C(C)CCCC2C)c(OCc2ccccc2C)n1.
What is the InChIKey of (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is KQUJROSURWVEQT-FLFQWRMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-8-5-6-11-19(15)14-27-22-20(13-12-16(2)23-22)21(24-26)25-17(3)9-7-10-18(25)4/h5-6,8,11-13,17-18,26H,7,9-10,14H2,1-4H3/b24-21-.
What are the key properties of (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 367.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,6-dimethylpiperidin-1-yl)-[6-methyl-2-[(2-methylphenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).