[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone

C15H21N3O3 — CID 63595851

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-13(18(20)21)14(10)15(19)17-8-6-12(7-9-17)11(2)16/h3-5,11-12H,6-9,16H2,1-2H3
InChIKeyUMYFETYBFDEBTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.10
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone (PubChem CID 63595851) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
PubChem CID63595851
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-5-13(18(20)21)14(10)15(19)17-8-6-12(7-9-17)11(2)16/h3-5,11-12H,6-9,16H2,1-2H3
InChIKeyUMYFETYBFDEBTE-UHFFFAOYSA-N
XLogP2.10
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.10
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 [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone 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

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 103975798
[4-(bromomethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 80677628
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 115300091
(3,4-dihydroxypyrrolidin-1-yl)-(2-methyl-6-nitrophenyl)methanone
CID 106671007
[3-(chloromethyl)pyrrolidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 63395864
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-6-nitrophenyl)methanone
CID 115313998
(3-bromopiperidin-1-yl)-(2-methyl-6-nitrophenyl)methanone
CID 80661458
[(3S)-3-hydroxypiperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 107224584
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 114801733
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582
1-[1-(2-methyl-3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55218228

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone (CID 63595851) is [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone is Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone?
The InChIKey is UMYFETYBFDEBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-5-13(18(20)21)14(10)15(19)17-8-6-12(7-9-17)11(2)16/h3-5,11-12H,6-9,16H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone is sourced from PubChem (CID 63595851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).