3-(4-methylphenyl)piperidin-1-amine

C12H18N2 — CID 83530745

IUPAC3-(4-methylphenyl)piperidin-1-amine
SMILESCc1ccc(C2CCCN(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-10-4-6-11(7-5-10)12-3-2-8-14(13)9-12/h4-7,12H,2-3,8-9,13H2,1H3
InChIKeyAGTZQGRZCFPWSG-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.05
Rot. Bonds1

About 3-(4-methylphenyl)piperidin-1-amine

3-(4-methylphenyl)piperidin-1-amine (PubChem CID 83530745) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)piperidin-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)piperidin-1-amine
PubChem CID83530745
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(4-methylphenyl)piperidin-1-amine
SMILESCc1ccc(C2CCCN(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-10-4-6-11(7-5-10)12-3-2-8-14(13)9-12/h4-7,12H,2-3,8-9,13H2,1H3
InChIKeyAGTZQGRZCFPWSG-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)piperidin-1-amine?
The IUPAC name of 3-(4-methylphenyl)piperidin-1-amine (CID 83530745) is 3-(4-methylphenyl)piperidin-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)piperidin-1-amine?
The canonical SMILES for 3-(4-methylphenyl)piperidin-1-amine is Cc1ccc(C2CCCN(N)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)piperidin-1-amine?
The InChIKey is AGTZQGRZCFPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-4-6-11(7-5-10)12-3-2-8-14(13)9-12/h4-7,12H,2-3,8-9,13H2,1H3.
What are the key properties of 3-(4-methylphenyl)piperidin-1-amine?
3-(4-methylphenyl)piperidin-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)piperidin-1-amine is sourced from PubChem (CID 83530745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).