N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine

C22H28N2O3 — CID 2870022

IUPACN-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(C2CC(=NO)C(C(C)C)C(c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C22H28N2O3/c1-14(2)21-20(24-25)13-19(15-5-9-17(26-3)10-6-15)23-22(21)16-7-11-18(27-4)12-8-16/h5-12,14,19,21-23,25H,13H2,1-4H3
InChIKeyYAYNGOKHOQNKCD-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.58
Rot. Bonds5

About N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine

N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine (PubChem CID 2870022) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
PubChem CID2870022
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(C2CC(=NO)C(C(C)C)C(c3ccc(OC)cc3)N2)cc1
InChIInChI=1S/C22H28N2O3/c1-14(2)21-20(24-25)13-19(15-5-9-17(26-3)10-6-15)23-22(21)16-7-11-18(27-4)12-8-16/h5-12,14,19,21-23,25H,13H2,1-4H3
InChIKeyYAYNGOKHOQNKCD-UHFFFAOYSA-N
XLogP4.58
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
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)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine (CID 2870022) is N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine is COc1ccc(C2CC(=NO)C(C(C)C)C(c3ccc(OC)cc3)N2)cc1.
What is the InChIKey of N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is YAYNGOKHOQNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)21-20(24-25)13-19(15-5-9-17(26-3)10-6-15)23-22(21)16-7-11-18(27-4)12-8-16/h5-12,14,19,21-23,25H,13H2,1-4H3.
What are the key properties of N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine?
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 368.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 2870022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).