N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine

C19H22N2O — CID 174661085

IUPACN-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine
SMILESON=C(C1CCCCN1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c22-21-19(17-13-7-8-14-20-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20,22H,7-8,13-14H2
InChIKeyJTBZLNLUBCNJQN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.79
Rot. Bonds4

About N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine

N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine (PubChem CID 174661085) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine
PubChem CID174661085
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine
SMILESON=C(C1CCCCN1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c22-21-19(17-13-7-8-14-20-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20,22H,7-8,13-14H2
InChIKeyJTBZLNLUBCNJQN-UHFFFAOYSA-N
XLogP3.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.79
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-[phenyl(piperidin-2-yl)methylidene]hydroxylamine
CID 82396550
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 110909519
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
phenyl(piperidin-2-yl)methanone
CID 19772085
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine?
The IUPAC name of N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine (CID 174661085) is N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine.
What is the SMILES notation for N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine?
The canonical SMILES for N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine is ON=C(C1CCCCN1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine?
The InChIKey is JTBZLNLUBCNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-21-19(17-13-7-8-14-20-17)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20,22H,7-8,13-14H2.
What are the key properties of N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine?
N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine has a molecular weight of 294.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenyl-1-piperidin-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 174661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).