1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine

C14H21N3O2 — CID 61171344

IUPAC1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H21N3O2/c1-2-16-9-3-4-13(11-16)15-10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyGLHPAWNJUDOHCZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds5

About 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine

1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine (PubChem CID 61171344) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
PubChem CID61171344
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H21N3O2/c1-2-16-9-3-4-13(11-16)15-10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyGLHPAWNJUDOHCZ-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 1-ethyl-N-[(4-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-[(2-chloro-5-nitrophenyl)methyl]-1-ethylpiperidin-3-amine
CID 61170567
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
CID 61169013
1-(1-ethylpiperidin-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875393
N-[(4-nitrophenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073362
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
2-[(1-ethylpiperidin-3-yl)amino]-5-nitrobenzonitrile
CID 61171760
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine (CID 61171344) is 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine is CCN1CCCC(NCc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine?
The InChIKey is GLHPAWNJUDOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-16-9-3-4-13(11-16)15-10-12-5-7-14(8-6-12)17(18)19/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine?
1-ethyl-N-[(4-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 1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 61171344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).