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

C12H18N2 — CID 54595674

IUPAC1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-10-4-6-12(7-5-10)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9,13H2,1H3
InChIKeyFVOMXRHHPMCQHW-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.92
Rot. Bonds1

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

1-(4-methylphenyl)piperidin-3-amine (PubChem CID 54595674) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)piperidin-3-amine
PubChem CID54595674
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(N)C2)cc1
InChIInChI=1S/C12H18N2/c1-10-4-6-12(7-5-10)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9,13H2,1H3
InChIKeyFVOMXRHHPMCQHW-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of 1-(4-methylphenyl)piperidin-3-amine (CID 54595674) is 1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for 1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is FVOMXRHHPMCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-4-6-12(7-5-10)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)piperidin-3-amine?
1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 54595674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).