(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine

C24H24N2O — CID 11894630

IUPAC(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
SMILESCN1[C@H](c2ccccc2)C/C(=N/O)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21-/t22-,23-,24-/m0/s1
InChIKeyIZKDZFQLDMSHKG-SRCLYBRXSA-N
MW356.47 g/mol
LogP5.42
Rot. Bonds3

About (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine

(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 11894630) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID11894630
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
SMILESCN1[C@H](c2ccccc2)C/C(=N/O)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21-/t22-,23-,24-/m0/s1
InChIKeyIZKDZFQLDMSHKG-SRCLYBRXSA-N
XLogP5.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
(NE)-N-[(2S,3R,6R)-1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 98645698
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
[(E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino] methyl carbonate
CID 71624715
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
N-[(2R,3R,6S)-1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl]acetamide
CID 95907396
N-[(2-bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
CID 73036509
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
[(1R,2R,4S,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 50935450

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine (CID 11894630) is (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine is CN1[C@H](c2ccccc2)C/C(=N/O)[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is IZKDZFQLDMSHKG-SRCLYBRXSA-N. The full InChI is InChI=1S/C24H24N2O/c1-26-22(18-11-5-2-6-12-18)17-21(25-27)23(19-13-7-3-8-14-19)24(26)20-15-9-4-10-16-20/h2-16,22-24,27H,17H2,1H3/b25-21-/t22-,23-,24-/m0/s1.
What are the key properties of (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine?
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 356.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 11894630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).