N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine

C19H22N2O4 — CID 101045950

IUPACN-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc([C@H]2C/C(=N/O)C[C@@H](c3ccc(OC)cc3)N2O)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-3-13(4-8-16)18-11-15(20-22)12-19(21(18)23)14-5-9-17(25-2)10-6-14/h3-10,18-19,22-23H,11-12H2,1-2H3/b20-15-/t18-,19+/m1/s1
InChIKeyIKDCDJVTQFUWEC-XKUXXELXSA-N
MW342.40 g/mol
LogP3.80
Rot. Bonds4

About N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine

N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 101045950) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
PubChem CID101045950
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc([C@H]2C/C(=N/O)C[C@@H](c3ccc(OC)cc3)N2O)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-3-13(4-8-16)18-11-15(20-22)12-19(21(18)23)14-5-9-17(25-2)10-6-14/h3-10,18-19,22-23H,11-12H2,1-2H3/b20-15-/t18-,19+/m1/s1
InChIKeyIKDCDJVTQFUWEC-XKUXXELXSA-N
XLogP3.80
TPSA74.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

(2R,4aS,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517136
(2R,4aR,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517135
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
CID 84712363
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036125
N-[2,4,6,8-tetrakis(4-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 52946680
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine (CID 101045950) is N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine is COc1ccc([C@H]2C/C(=N/O)C[C@@H](c3ccc(OC)cc3)N2O)cc1.
What is the InChIKey of N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is IKDCDJVTQFUWEC-XKUXXELXSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-7-3-13(4-8-16)18-11-15(20-22)12-19(21(18)23)14-5-9-17(25-2)10-6-14/h3-10,18-19,22-23H,11-12H2,1-2H3/b20-15-/t18-,19+/m1/s1.
What are the key properties of N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine?
N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 342.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 101045950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).