N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine

C18H18N4O5 — CID 2818354

IUPACN-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
SMILESCC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-11-16(20-23)10-17(12-2-6-14(7-3-12)21(24)25)19-18(11)13-4-8-15(9-5-13)22(26)27/h2-9,11,17-19,23H,10H2,1H3
InChIKeyLFGUOKSONBHVJF-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.74
Rot. Bonds4

About N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine

N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 2818354) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
PubChem CID2818354
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
SMILESCC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-11-16(20-23)10-17(12-2-6-14(7-3-12)21(24)25)19-18(11)13-4-8-15(9-5-13)22(26)27/h2-9,11,17-19,23H,10H2,1H3
InChIKeyLFGUOKSONBHVJF-UHFFFAOYSA-N
XLogP3.74
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-Methyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 60509567
4-Benzyl-1-(4-nitrobenzyl)piperidine
CID 764785
1-[2-(4-Nitrophenyl)ethyl]-4-[2-(4-nitrophenyl)propyl]piperazine
CID 71451052
1-[2-(4-Nitrophenyl)ethyl]-4-[1-(4-nitrophenyl)propan-2-yl]piperazine
CID 71458215
3-Ethyl-2,6-bis(4-nitrophenyl)piperidin-4-one
CID 3123746
3,5-Dimethyl-2,6-bis(4-nitrophenyl)piperidin-4-one
CID 3129026
1-benzyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 17159252
4-(4-Nitrophenyl)-1-[2-(4-nitrophenyl)ethyl]piperidine
CID 44328161
N,N'-bis[6-[(4-nitrophenyl)methylamino]hexyl]octane-1,8-diamine
CID 44380975
7-(4-nitrophenyl)-5-phenyl-2,3-dihydro-1H-1,4-diazepine;perchloric acid
CID 91800799
(1S,2S,3R)-2-methyl-N-[(3-nitrophenyl)methyl]-3-phenylcyclopropan-1-amine
CID 145994230
N-[3,5-bis[[4-(dimethylamino)-2-nitrophenyl]methyl]-1-methylpiperidin-4-ylidene]hydroxylamine
CID 155511035

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine (CID 2818354) is N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine is CC1C(=NO)CC(c2ccc([N+](=O)[O-])cc2)NC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is LFGUOKSONBHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-11-16(20-23)10-17(12-2-6-14(7-3-12)21(24)25)19-18(11)13-4-8-15(9-5-13)22(26)27/h2-9,11,17-19,23H,10H2,1H3.
What are the key properties of N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 370.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 2818354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).