1-(4-methyl-3-nitrophenyl)piperidin-4-amine

C12H17N3O2 — CID 62910930

IUPAC1-(4-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-2-3-11(8-12(9)15(16)17)14-6-4-10(13)5-7-14/h2-3,8,10H,4-7,13H2,1H3
InChIKeyVRKCZZYHLRBPQW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-methyl-3-nitrophenyl)piperidin-4-amine

1-(4-methyl-3-nitrophenyl)piperidin-4-amine (PubChem CID 62910930) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)piperidin-4-amine
PubChem CID62910930
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-2-3-11(8-12(9)15(16)17)14-6-4-10(13)5-7-14/h2-3,8,10H,4-7,13H2,1H3
InChIKeyVRKCZZYHLRBPQW-UHFFFAOYSA-N
XLogP1.83
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.83
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

N-(cyclopropylmethyl)-1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 115307590
5-(4-aminopiperidin-1-yl)-2-nitrobenzonitrile
CID 115500461
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
1-(4-nitro-3-propoxyphenyl)piperidin-4-amine
CID 63671337
1-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine
CID 22345192
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)piperidin-4-amine (CID 62910930) is 1-(4-methyl-3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)piperidin-4-amine is Cc1ccc(N2CCC(N)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)piperidin-4-amine?
The InChIKey is VRKCZZYHLRBPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-3-11(8-12(9)15(16)17)14-6-4-10(13)5-7-14/h2-3,8,10H,4-7,13H2,1H3.
What are the key properties of 1-(4-methyl-3-nitrophenyl)piperidin-4-amine?
1-(4-methyl-3-nitrophenyl)piperidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 62910930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).