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

C14H21N3O2 — CID 63255659

IUPAC1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
SMILESCc1ccc(N2CCCCC2C(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-10-6-7-13(14(9-10)17(18)19)16-8-4-3-5-12(16)11(2)15/h6-7,9,11-12H,3-5,8,15H2,1-2H3
InChIKeyDWNHDSJARFHACW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds3

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

1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine (PubChem CID 63255659) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
PubChem CID63255659
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
SMILESCc1ccc(N2CCCCC2C(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-10-6-7-13(14(9-10)17(18)19)16-8-4-3-5-12(16)11(2)15/h6-7,9,11-12H,3-5,8,15H2,1-2H3
InChIKeyDWNHDSJARFHACW-UHFFFAOYSA-N
XLogP2.61
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine (CID 63255659) is 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine is Cc1ccc(N2CCCCC2C(C)N)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine?
The InChIKey is DWNHDSJARFHACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-6-7-13(14(9-10)17(18)19)16-8-4-3-5-12(16)11(2)15/h6-7,9,11-12H,3-5,8,15H2,1-2H3.
What are the key properties of 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine?
1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).