(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

C19H22N2O — CID 7664206

IUPAC(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-16-18(21-22)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20,22H,2,13H2,1H3/b21-18+/t16-,17-,19-/m0/s1
InChIKeyKELKCHCDSYUMCO-TUSZLCGBSA-N
MW294.40 g/mol
LogP4.32
Rot. Bonds3

About (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 7664206) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID7664206
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-16-18(21-22)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20,22H,2,13H2,1H3/b21-18+/t16-,17-,19-/m0/s1
InChIKeyKELKCHCDSYUMCO-TUSZLCGBSA-N
XLogP4.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze (NE)-N-[(2R,3R,6S)-3-ethyl-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

N-(3-benzyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
CID 3089029
N-[(2R,3S,6S)-3-benzyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7073015
N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
CID 2870021
(NZ)-N-[(2R,3R,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7243018
(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 5400258
(NZ)-N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 171985956
N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 4711818
(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
CID 43831630
3-butyl-2,6-diphenylpiperidin-4-one
CID 13185090
(NE)-N-[(2S,3R,6S)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7407907
(NE)-N-[(2R,3S,6R)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6341275
ethyl 2-[(2S,3S,6S)-4-oxo-2,6-diphenylpiperidin-3-yl]acetate
CID 92961114

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (CID 7664206) is (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is CC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1.
What is the InChIKey of (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is KELKCHCDSYUMCO-TUSZLCGBSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-16-18(21-22)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20,22H,2,13H2,1H3/b21-18+/t16-,17-,19-/m0/s1.
What are the key properties of (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 294.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 7664206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).