(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine

C18H20N2O — CID 13440410

IUPAC(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCN1CC/C(=N\O)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-13-12-17(19-21)18(14-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,21H,12-14H2,1H3/b19-17+
InChIKeyYRPLHIHBUQLWGW-HTXNQAPBSA-N
MW280.37 g/mol
LogP3.14
Rot. Bonds2

About (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine

(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine (PubChem CID 13440410) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine
PubChem CID13440410
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine
SMILESCN1CC/C(=N\O)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-13-12-17(19-21)18(14-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,21H,12-14H2,1H3/b19-17+
InChIKeyYRPLHIHBUQLWGW-HTXNQAPBSA-N
XLogP3.14
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.14
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

Budipine
CID 68778
Prodipine
CID 65775
1,3-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 5333825
1-Benzyl-4-piperidone oxime
CID 70365
2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium
CID 10110164
3,5-diethyl-N-hydroxy-2,6-diphenylpiperidin-4-imine
CID 2729796
(1Z)-N-hydroxy-1-phenyl-2-(piperidin-1-yl)ethanimine
CID 6369915
3,7-Dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one oxime
CID 562625
3,5-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 2854422
3-Methyl-2,6-diphenyl-4-piperidinone oxime
CID 5333927
(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
CID 5333964
(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 5339658

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine (CID 13440410) is (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine is CN1CC/C(=N\O)C(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is YRPLHIHBUQLWGW-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-13-12-17(19-21)18(14-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,21H,12-14H2,1H3/b19-17+.
What are the key properties of (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine?
(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 13440410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).