N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine

C15H24N2 — CID 117025339

IUPACN,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
SMILESCNC1CN(c2ccccc2C)CCC1(C)C
InChIInChI=1S/C15H24N2/c1-12-7-5-6-8-13(12)17-10-9-15(2,3)14(11-17)16-4/h5-8,14,16H,9-11H2,1-4H3
InChIKeyQDWFKPNKYDRNKI-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds2

About N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine

N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine (PubChem CID 117025339) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
PubChem CID117025339
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
SMILESCNC1CN(c2ccccc2C)CCC1(C)C
InChIInChI=1S/C15H24N2/c1-12-7-5-6-8-13(12)17-10-9-15(2,3)14(11-17)16-4/h5-8,14,16H,9-11H2,1-4H3
InChIKeyQDWFKPNKYDRNKI-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine?
The IUPAC name of N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine (CID 117025339) is N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine is CNC1CN(c2ccccc2C)CCC1(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine?
The InChIKey is QDWFKPNKYDRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-7-5-6-8-13(12)17-10-9-15(2,3)14(11-17)16-4/h5-8,14,16H,9-11H2,1-4H3.
What are the key properties of N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine?
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 117025339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).