N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine

C13H18ClN3O2 — CID 55248936

IUPACN-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClN3O2/c1-16(12-3-2-6-15-8-12)9-10-4-5-11(17(18)19)7-13(10)14/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyWEIXWUDUUDLSJD-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine

N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 55248936) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID55248936
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClN3O2/c1-16(12-3-2-6-15-8-12)9-10-4-5-11(17(18)19)7-13(10)14/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyWEIXWUDUUDLSJD-UHFFFAOYSA-N
XLogP2.43
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine 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

N-[(2-chloro-4-nitrophenyl)methyl]-N-methylazepan-4-amine
CID 104974321
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N-[(5-chloro-2-nitrophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 79579736
N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 61448511
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
2-(2-chloro-4-nitrophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471752

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine (CID 55248936) is N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine is CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCNC1.
What is the InChIKey of N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is WEIXWUDUUDLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-16(12-3-2-6-15-8-12)9-10-4-5-11(17(18)19)7-13(10)14/h4-5,7,12,15H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine?
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 283.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 55248936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).