N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine

C19H22N4O4 — CID 19784343

IUPACN-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O4/c1-20(14-15-2-4-18(5-3-15)22(24)25)16-10-12-21(13-11-16)17-6-8-19(9-7-17)23(26)27/h2-9,16H,10-14H2,1H3
InChIKeyAXEGXVDYSXFESS-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine

N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine (PubChem CID 19784343) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
PubChem CID19784343
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O4/c1-20(14-15-2-4-18(5-3-15)22(24)25)16-10-12-21(13-11-16)17-6-8-19(9-7-17)23(26)27/h2-9,16H,10-14H2,1H3
InChIKeyAXEGXVDYSXFESS-UHFFFAOYSA-N
XLogP3.60
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
CID 757291
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 159183321
(E)-but-2-enedioic acid;N-methyl-N-[(4-nitrophenyl)methyl]-1-[1-(4-nitrophenyl)piperidin-4-yl]methanamine
CID 19092266
N-methyl-4-nitro-N-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]aniline
CID 144902442
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
N-methyl-N-[1-(4-nitrophenyl)pyrrolidin-3-yl]acetamide
CID 21105631
4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
CID 19784373
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590755
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine (CID 19784343) is N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine is CN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine?
The InChIKey is AXEGXVDYSXFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-20(14-15-2-4-18(5-3-15)22(24)25)16-10-12-21(13-11-16)17-6-8-19(9-7-17)23(26)27/h2-9,16H,10-14H2,1H3.
What are the key properties of N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine?
N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine has a molecular weight of 370.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 19784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).