2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline

C15H24N2 — CID 129452350

IUPAC2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
SMILESCc1cc(N)c(N2[C@H](C)CCC[C@H]2C)cc1C
InChIInChI=1S/C15H24N2/c1-10-8-14(16)15(9-11(10)2)17-12(3)6-5-7-13(17)4/h8-9,12-13H,5-7,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyWSWPDXKSODTJHT-CHWSQXEVSA-N
MW232.37 g/mol
LogP3.65
Rot. Bonds1

About 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline

2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline (PubChem CID 129452350) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
PubChem CID129452350
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
SMILESCc1cc(N)c(N2[C@H](C)CCC[C@H]2C)cc1C
InChIInChI=1S/C15H24N2/c1-10-8-14(16)15(9-11(10)2)17-12(3)6-5-7-13(17)4/h8-9,12-13H,5-7,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyWSWPDXKSODTJHT-CHWSQXEVSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline (CID 129452350) is 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline is Cc1cc(N)c(N2[C@H](C)CCC[C@H]2C)cc1C.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline?
The InChIKey is WSWPDXKSODTJHT-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-8-14(16)15(9-11(10)2)17-12(3)6-5-7-13(17)4/h8-9,12-13H,5-7,16H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline?
2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline is sourced from PubChem (CID 129452350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).