1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine

C16H26N2 — CID 113282864

IUPAC1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)12-18-7-5-16(3,17-4)6-8-18/h9-11,17H,5-8,12H2,1-4H3
InChIKeyQSKJLCZBGRYKJZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 113282864) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID113282864
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)12-18-7-5-16(3,17-4)6-8-18/h9-11,17H,5-8,12H2,1-4H3
InChIKeyQSKJLCZBGRYKJZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 113282864) is 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is QSKJLCZBGRYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)12-18-7-5-16(3,17-4)6-8-18/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 113282864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).