(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine

C12H16N2O — CID 55027612

IUPAC(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
SMILESO/N=C1\CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N2O/c15-13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2/b13-12+
InChIKeyYRHHHSZUXNSWLN-OUKQBFOZSA-N
MW204.27 g/mol
LogP2.11
Rot. Bonds2

About (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine

(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine (PubChem CID 55027612) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
PubChem CID55027612
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
SMILESO/N=C1\CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N2O/c15-13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2/b13-12+
InChIKeyYRHHHSZUXNSWLN-OUKQBFOZSA-N
XLogP2.11
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.11
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

2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzylpiperidin-3-one;ethene
CID 153347429
1-benzylazepane
CID 10954328
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
1-benzyl-N-oxidoazetidin-3-imine
CID 39843484
[(1-benzylpyrrolidin-3-ylidene)amino]thiourea
CID 76874723
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpyrrolidine;propane
CID 143692089
(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
CID 141340665
N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine
CID 141299861
(4E)-4-(1-benzylpiperidin-3-ylidene)butan-1-amine
CID 70159543

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine (CID 55027612) is (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine is O/N=C1\CCCN(Cc2ccccc2)C1.
What is the InChIKey of (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine?
The InChIKey is YRHHHSZUXNSWLN-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2O/c15-13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2/b13-12+.
What are the key properties of (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine?
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine is sourced from PubChem (CID 55027612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).