[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone

C15H21N3O3 — CID 65462246

IUPAC[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN)CCC2C)c1
InChIInChI=1S/C15H21N3O3/c1-10-3-6-14(18(20)21)13(7-10)15(19)17-9-12(8-16)5-4-11(17)2/h3,6-7,11-12H,4-5,8-9,16H2,1-2H3
InChIKeyGJJTZKMXFFFZQG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.10
Rot. Bonds3

About [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone (PubChem CID 65462246) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
PubChem CID65462246
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN)CCC2C)c1
InChIInChI=1S/C15H21N3O3/c1-10-3-6-14(18(20)21)13(7-10)15(19)17-9-12(8-16)5-4-11(17)2/h3,6-7,11-12H,4-5,8-9,16H2,1-2H3
InChIKeyGJJTZKMXFFFZQG-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'}

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462245
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
2-[1-(5-methyl-2-nitrobenzoyl)pyrrolidin-2-yl]acetic acid
CID 65460813
1-[1-(5-methyl-2-nitrobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79538782
[4-(5-chloro-2-nitrobenzoyl)-2,5-dimethylpiperazin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 5105037
(2-chloro-4-methylphenyl)-[(2S,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 100628404
[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65463040
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821986
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone (CID 65462246) is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone is Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN)CCC2C)c1.
What is the InChIKey of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
The InChIKey is GJJTZKMXFFFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-6-14(18(20)21)13(7-10)15(19)17-9-12(8-16)5-4-11(17)2/h3,6-7,11-12H,4-5,8-9,16H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone?
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-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 [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone is sourced from PubChem (CID 65462246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).