1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine

C15H25N3 — CID 79397869

IUPAC1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C15H25N3/c1-11-12(2)18(10-9-15(11)16)14-7-5-13(6-8-14)17(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyKUOXEWJLMXUFJO-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.31
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine

1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine (PubChem CID 79397869) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine
PubChem CID79397869
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccc(N(C)C)cc2)C1C
InChIInChI=1S/C15H25N3/c1-11-12(2)18(10-9-15(11)16)14-7-5-13(6-8-14)17(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyKUOXEWJLMXUFJO-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine (CID 79397869) is 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine is CC1C(N)CCN(c2ccc(N(C)C)cc2)C1C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine?
The InChIKey is KUOXEWJLMXUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-12(2)18(10-9-15(11)16)14-7-5-13(6-8-14)17(3)4/h5-8,11-12,15H,9-10,16H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine?
1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).