N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine

C14H21N3O2 — CID 55247967

IUPACN-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN(Cc1ccccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-2-16(13-7-5-9-15-10-13)11-12-6-3-4-8-14(12)17(18)19/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3
InChIKeySYUGYRDIANDFNW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine

N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine (PubChem CID 55247967) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
PubChem CID55247967
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN(Cc1ccccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C14H21N3O2/c1-2-16(13-7-5-9-15-10-13)11-12-6-3-4-8-14(12)17(18)19/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3
InChIKeySYUGYRDIANDFNW-UHFFFAOYSA-N
XLogP2.17
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
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-ethyl-N-[(2-nitrophenyl)methyl]piperidin-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-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
N-ethyl-N-[(5-nitrofuran-2-yl)methyl]piperidin-3-amine
CID 63638343
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-[(3-bromo-5-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 103351309
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-4-amine
CID 79579986
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine (CID 55247967) is N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine is CCN(Cc1ccccc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine?
The InChIKey is SYUGYRDIANDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-16(13-7-5-9-15-10-13)11-12-6-3-4-8-14(12)17(18)19/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3.
What are the key properties of N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine?
N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 55247967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).