2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine

C18H25N3 — CID 114593810

IUPAC2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine
SMILESCC1CC(C)C(C)N(Cc2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)14(3)21(10-12)11-15-9-17(19)16-6-4-5-7-18(16)20-15/h4-7,9,12-14H,8,10-11H2,1-3H3,(H2,19,20)
InChIKeyYOPBHGMPRGIGLU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.68
Rot. Bonds2

About 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine

2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine (PubChem CID 114593810) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine
PubChem CID114593810
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine
SMILESCC1CC(C)C(C)N(Cc2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)14(3)21(10-12)11-15-9-17(19)16-6-4-5-7-18(16)20-15/h4-7,9,12-14H,8,10-11H2,1-3H3,(H2,19,20)
InChIKeyYOPBHGMPRGIGLU-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine (CID 114593810) is 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine is CC1CC(C)C(C)N(Cc2cc(N)c3ccccc3n2)C1.
What is the InChIKey of 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine?
The InChIKey is YOPBHGMPRGIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-8-13(2)14(3)21(10-12)11-15-9-17(19)16-6-4-5-7-18(16)20-15/h4-7,9,12-14H,8,10-11H2,1-3H3,(H2,19,20).
What are the key properties of 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine?
2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 114593810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).