N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine

C20H24N2O3 — CID 73355384

IUPACN-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(C2CC(=NO)CC(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C20H24N2O3/c1-22-19(14-4-8-17(24-2)9-5-14)12-16(21-23)13-20(22)15-6-10-18(25-3)11-7-15/h4-11,19-20,23H,12-13H2,1-3H3
InChIKeyABQXJYQNKYZVQE-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.04
Rot. Bonds4

About N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine

N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 73355384) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID73355384
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(C2CC(=NO)CC(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C20H24N2O3/c1-22-19(14-4-8-17(24-2)9-5-14)12-16(21-23)13-20(22)15-6-10-18(25-3)11-7-15/h4-11,19-20,23H,12-13H2,1-3H3
InChIKeyABQXJYQNKYZVQE-UHFFFAOYSA-N
XLogP4.04
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine (CID 73355384) is N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine is COc1ccc(C2CC(=NO)CC(c3ccc(OC)cc3)N2C)cc1.
What is the InChIKey of N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is ABQXJYQNKYZVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22-19(14-4-8-17(24-2)9-5-14)12-16(21-23)13-20(22)15-6-10-18(25-3)11-7-15/h4-11,19-20,23H,12-13H2,1-3H3.
What are the key properties of N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine?
N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 340.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 73355384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).