N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

C19H21N3O2 — CID 92531275

IUPACN-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1/C(=N/O)[C@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-13-17(20-23)14(2)19(16-11-7-4-8-12-16)22(21-24)18(13)15-9-5-3-6-10-15/h3-14,18-19,23H,1-2H3/b20-17-/t13-,14+,18+,19-/m1/s1
InChIKeyOKZJJNGCIWTGDK-VKZFSABASA-N
MW323.40 g/mol
LogP4.57
Rot. Bonds3

About N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 92531275) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID92531275
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1/C(=N/O)[C@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-13-17(20-23)14(2)19(16-11-7-4-8-12-16)22(21-24)18(13)15-9-5-3-6-10-15/h3-14,18-19,23H,1-2H3/b20-17-/t13-,14+,18+,19-/m1/s1
InChIKeyOKZJJNGCIWTGDK-VKZFSABASA-N
XLogP4.57
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-nitroso-5-phenylimidazolidin-4-one
CID 54313592
1-nitroso-2,6-diphenylpiperidin-4-one
CID 14663661
dimethyl (1R,8S,9R,10S)-11-nitroso-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 15505936
(E)-N-[(4R,5S)-3-[(Z)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92529360
(E)-N-[(4R,5S)-3-[(E)-benzylideneamino]-2-methyl-4,5-diphenylimidazolidin-1-yl]-1-phenylmethanimine
CID 92858993
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
N-[(2S,3S)-2,3-diphenylaziridin-1-yl]-1,1-diphenylmethanimine
CID 11014227
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(3S,4S)-1,3-dimethyl-4-phenylazetidine-2-thione
CID 15324830
1-(2-chloroacetyl)-3,5-dimethyl-2,6-diphenylpiperidin-4-one
CID 16737018
methyl 4-hydroxyimino-5-phenylthiolane-3-carboxylate
CID 88749731

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (CID 92531275) is N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is C[C@@H]1/C(=N/O)[C@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1.
What is the InChIKey of N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is OKZJJNGCIWTGDK-VKZFSABASA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-17(20-23)14(2)19(16-11-7-4-8-12-16)22(21-24)18(13)15-9-5-3-6-10-15/h3-14,18-19,23H,1-2H3/b20-17-/t13-,14+,18+,19-/m1/s1.
What are the key properties of N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 323.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5R,6R)-3,5-dimethyl-1-nitroso-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 92531275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).