(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine

C20H22N2O — CID 123311367

IUPAC(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H22N2O/c23-21-19-14-20(18-9-5-4-8-17(18)19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,23H,10-15H2/b21-19+
InChIKeyKAUPZGAJWGWSOL-XUTLUUPISA-N
MW306.41 g/mol
LogP3.80
Rot. Bonds2

About (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine

(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine (PubChem CID 123311367) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
PubChem CID123311367
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H22N2O/c23-21-19-14-20(18-9-5-4-8-17(18)19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,23H,10-15H2/b21-19+
InChIKeyKAUPZGAJWGWSOL-XUTLUUPISA-N
XLogP3.80
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.80
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

(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
CID 88869998
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 70823758
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 12706476
(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
CID 141340665
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine (CID 123311367) is (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine is O/N=C1\CC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine?
The InChIKey is KAUPZGAJWGWSOL-XUTLUUPISA-N. The full InChI is InChI=1S/C20H22N2O/c23-21-19-14-20(18-9-5-4-8-17(18)19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,23H,10-15H2/b21-19+.
What are the key properties of (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine?
(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine has a molecular weight of 306.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine is sourced from PubChem (CID 123311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).