1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine

C13H18IN3O2 — CID 66080118

IUPAC1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18IN3O2/c1-15-9-11-4-2-3-7-16(11)12-6-5-10(14)8-13(12)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyIEUJGOPIXSWZGO-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 66080118) has the molecular formula C13H18IN3O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID66080118
Molecular FormulaC13H18IN3O2
Molecular Weight375.21 g/mol
Exact Mass375.04
IUPAC Name1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18IN3O2/c1-15-9-11-4-2-3-7-16(11)12-6-5-10(14)8-13(12)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyIEUJGOPIXSWZGO-UHFFFAOYSA-N
XLogP2.78
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,4-dinitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 63253560
N-methyl-1-[1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115316991
N-methyl-1-[1-(2-methyl-4-nitrophenyl)piperidin-2-yl]methanamine
CID 63254111
N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine
CID 63253758
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
N-methyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 82993291
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115317049
2-[1-(4-iodo-2-nitrophenyl)piperidin-4-yl]-N-methylethanamine
CID 66082496
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 107260531
(2S)-2-ethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine
CID 9186727
3-ethoxy-1-(4-iodo-2-nitrophenyl)piperidine
CID 133274314

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine (CID 66080118) is 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1c1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is IEUJGOPIXSWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2/c1-15-9-11-4-2-3-7-16(11)12-6-5-10(14)8-13(12)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 375.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 66080118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).