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

C12H18N2 — CID 57310870

IUPAC1-(3-methylphenyl)piperidin-3-amine
SMILESCc1cccc(N2CCCC(N)C2)c1
InChIInChI=1S/C12H18N2/c1-10-4-2-6-12(8-10)14-7-3-5-11(13)9-14/h2,4,6,8,11H,3,5,7,9,13H2,1H3
InChIKeyDKIGTLIAODOUTO-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.92
Rot. Bonds1

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

1-(3-methylphenyl)piperidin-3-amine (PubChem CID 57310870) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)piperidin-3-amine
PubChem CID57310870
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-methylphenyl)piperidin-3-amine
SMILESCc1cccc(N2CCCC(N)C2)c1
InChIInChI=1S/C12H18N2/c1-10-4-2-6-12(8-10)14-7-3-5-11(13)9-14/h2,4,6,8,11H,3,5,7,9,13H2,1H3
InChIKeyDKIGTLIAODOUTO-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)piperidin-3-amine?
The IUPAC name of 1-(3-methylphenyl)piperidin-3-amine (CID 57310870) is 1-(3-methylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(3-methylphenyl)piperidin-3-amine?
The canonical SMILES for 1-(3-methylphenyl)piperidin-3-amine is Cc1cccc(N2CCCC(N)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)piperidin-3-amine?
The InChIKey is DKIGTLIAODOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-4-2-6-12(8-10)14-7-3-5-11(13)9-14/h2,4,6,8,11H,3,5,7,9,13H2,1H3.
What are the key properties of 1-(3-methylphenyl)piperidin-3-amine?
1-(3-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-(3-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 57310870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).