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

C18H20N2O — CID 5400258

IUPAC(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16-/t13-,17+,18-/m1/s1
InChIKeyMKDXFVQSWSAIDD-BZDHZQJVSA-N
MW280.37 g/mol
LogP3.93
Rot. Bonds2

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

(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (PubChem CID 5400258) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
PubChem CID5400258
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16-/t13-,17+,18-/m1/s1
InChIKeyMKDXFVQSWSAIDD-BZDHZQJVSA-N
XLogP3.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.93
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'}

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Related Compounds

(NZ)-N-[(2R,3R,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7243018
(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
(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
(NE)-N-[(2R,3R,6S)-3-ethyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 7664206
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940
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
3-[(E)-(3-methyl-2,6-diphenylpiperidin-4-ylidene)amino]-2-sulfanylideneimidazolidin-4-one
CID 46225576
(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
CID 43831630
(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6543489

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine (CID 5400258) is (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1.
What is the InChIKey of (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is MKDXFVQSWSAIDD-BZDHZQJVSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-16(20-21)12-17(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,17-19,21H,12H2,1H3/b20-16-/t13-,17+,18-/m1/s1.
What are the key properties of (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine?
(NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R,3S,6S)-3-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 5400258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).