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

C15H23N3O2 — CID 61169013

IUPAC1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(C)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-17-8-4-5-14(11-17)16-10-13-7-6-12(2)15(9-13)18(19)20/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyFTWQFLCVEBOGAW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.48
Rot. Bonds5

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

1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine (PubChem CID 61169013) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
PubChem CID61169013
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(C)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-17-8-4-5-14(11-17)16-10-13-7-6-12(2)15(9-13)18(19)20/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyFTWQFLCVEBOGAW-UHFFFAOYSA-N
XLogP2.48
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.48
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-methyl-3-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

1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-methyl-N-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 54949774
N-[(2-chloro-5-nitrophenyl)methyl]-1-ethylpiperidin-3-amine
CID 61170567
N-[(4-methyl-3-nitrophenyl)methyl]thiolan-3-amine
CID 103701518
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
4-[(1-ethylpiperidin-3-yl)amino]-3-nitrobenzoic acid
CID 61478265
N-[[4-(methylamino)-3-nitrophenyl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 56822888
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine
CID 43222867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine (CID 61169013) is 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine is CCN1CCCC(NCc2ccc(C)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine?
The InChIKey is FTWQFLCVEBOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-8-4-5-14(11-17)16-10-13-7-6-12(2)15(9-13)18(19)20/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine?
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine has a molecular weight of 277.37 g/mol, XLogP of 2.48, 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-methyl-3-nitrophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 61169013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).