N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride

C17H25Cl2N3 — CID 119918724

IUPACN-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-13-10-14(16-7-3-4-8-17(16)19-13)11-20-9-5-6-15(12-20)18-2;;/h3-4,7-8,10,15,18H,5-6,9,11-12H2,1-2H3;2*1H
InChIKeyKHYGZCOUVDWGOU-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.57
Rot. Bonds3

About N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride

N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride (PubChem CID 119918724) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
PubChem CID119918724
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC NameN-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-13-10-14(16-7-3-4-8-17(16)19-13)11-20-9-5-6-15(12-20)18-2;;/h3-4,7-8,10,15,18H,5-6,9,11-12H2,1-2H3;2*1H
InChIKeyKHYGZCOUVDWGOU-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
1-[(2-methylquinolin-4-yl)methyl]piperidine-3-carboximidamide
CID 79230902
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The IUPAC name of N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride (CID 119918724) is N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The canonical SMILES for N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride is CNC1CCCN(Cc2cc(C)nc3ccccc23)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The InChIKey is KHYGZCOUVDWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.2ClH/c1-13-10-14(16-7-3-4-8-17(16)19-13)11-20-9-5-6-15(12-20)18-2;;/h3-4,7-8,10,15,18H,5-6,9,11-12H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride?
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 119918724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).