2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine

C17H24N4 — CID 115485755

IUPAC2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
SMILESCN(C)C1CCN(Cc2cc(N)c3ccccc3n2)CC1
InChIInChI=1S/C17H24N4/c1-20(2)14-7-9-21(10-8-14)12-13-11-16(18)15-5-3-4-6-17(15)19-13/h3-6,11,14H,7-10,12H2,1-2H3,(H2,18,19)
InChIKeyGBRJVAFFWSLJDP-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.34
Rot. Bonds3

About 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine

2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine (PubChem CID 115485755) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
PubChem CID115485755
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
SMILESCN(C)C1CCN(Cc2cc(N)c3ccccc3n2)CC1
InChIInChI=1S/C17H24N4/c1-20(2)14-7-9-21(10-8-14)12-13-11-16(18)15-5-3-4-6-17(15)19-13/h3-6,11,14H,7-10,12H2,1-2H3,(H2,18,19)
InChIKeyGBRJVAFFWSLJDP-UHFFFAOYSA-N
XLogP2.34
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine?
The IUPAC name of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine (CID 115485755) is 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine is CN(C)C1CCN(Cc2cc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine?
The InChIKey is GBRJVAFFWSLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(2)14-7-9-21(10-8-14)12-13-11-16(18)15-5-3-4-6-17(15)19-13/h3-6,11,14H,7-10,12H2,1-2H3,(H2,18,19).
What are the key properties of 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine?
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 115485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).