[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine

C15H23N3O2 — CID 103441931

IUPAC[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCc2ccccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O2/c1-12-6-8-17(14(10-12)11-16)9-7-13-4-2-3-5-15(13)18(19)20/h2-5,12,14H,6-11,16H2,1H3
InChIKeyIDWZHZIOVFWBKL-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds5

About [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine

[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 103441931) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
PubChem CID103441931
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCc2ccccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O2/c1-12-6-8-17(14(10-12)11-16)9-7-13-4-2-3-5-15(13)18(19)20/h2-5,12,14H,6-11,16H2,1H3
InChIKeyIDWZHZIOVFWBKL-UHFFFAOYSA-N
XLogP2.20
TPSA72.40 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 ≤ 52.20
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

[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 107350343
[1-[(5-fluoro-2-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442070
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162
[4-methyl-1-[(2-nitrophenyl)methyl]piperazin-2-yl]methanamine
CID 80505308
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
CID 103442244
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
CID 102959518
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
CID 103442256
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine (CID 103441931) is [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine is CC1CCN(CCc2ccccc2[N+](=O)[O-])C(CN)C1.
What is the InChIKey of [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is IDWZHZIOVFWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-6-8-17(14(10-12)11-16)9-7-13-4-2-3-5-15(13)18(19)20/h2-5,12,14H,6-11,16H2,1H3.
What are the key properties of [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103441931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).