N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine

C17H23N3 — CID 115305596

IUPACN,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
SMILESCNC1(C)CCN(c2cc(C)nc3ccccc23)CC1
InChIInChI=1S/C17H23N3/c1-13-12-16(14-6-4-5-7-15(14)19-13)20-10-8-17(2,18-3)9-11-20/h4-7,12,18H,8-11H2,1-3H3
InChIKeyGDGJOPDAHNBKPU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.12
Rot. Bonds2

About N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine

N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine (PubChem CID 115305596) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
PubChem CID115305596
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
SMILESCNC1(C)CCN(c2cc(C)nc3ccccc23)CC1
InChIInChI=1S/C17H23N3/c1-13-12-16(14-6-4-5-7-15(14)19-13)20-10-8-17(2,18-3)9-11-20/h4-7,12,18H,8-11H2,1-3H3
InChIKeyGDGJOPDAHNBKPU-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine (CID 115305596) is N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine is CNC1(C)CCN(c2cc(C)nc3ccccc23)CC1.
What is the InChIKey of N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine?
The InChIKey is GDGJOPDAHNBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-12-16(14-6-4-5-7-15(14)19-13)20-10-8-17(2,18-3)9-11-20/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine?
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine is sourced from PubChem (CID 115305596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).