N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine

C17H23N3 — CID 63374156

IUPACN-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
SMILESCNCc1cc(N2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-7-9-20(10-8-13)17-11-14(12-18-2)19-16-6-4-3-5-15(16)17/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyRKSMVUVMGMNGIX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds3

About N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine

N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine (PubChem CID 63374156) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
PubChem CID63374156
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
SMILESCNCc1cc(N2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-7-9-20(10-8-13)17-11-14(12-18-2)19-16-6-4-3-5-15(16)17/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyRKSMVUVMGMNGIX-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine (CID 63374156) is N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine is CNCc1cc(N2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine?
The InChIKey is RKSMVUVMGMNGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-9-20(10-8-13)17-11-14(12-18-2)19-16-6-4-3-5-15(16)17/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine?
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine is sourced from PubChem (CID 63374156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).