1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

C18H27Cl2N3 — CID 119920625

IUPAC1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCc1cc(CN2CCC(C(C)N)CC2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-21-9-7-15(8-10-21)14(2)19;;/h3-6,11,14-15H,7-10,12,19H2,1-2H3;2*1H
InChIKeyHGXNWSXMOGPBHX-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.95
Rot. Bonds3

About 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (PubChem CID 119920625) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
PubChem CID119920625
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCc1cc(CN2CCC(C(C)N)CC2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-21-9-7-15(8-10-21)14(2)19;;/h3-6,11,14-15H,7-10,12,19H2,1-2H3;2*1H
InChIKeyHGXNWSXMOGPBHX-UHFFFAOYSA-N
XLogP3.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.95
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
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
1-[(2-methylquinolin-4-yl)methyl]-3-propylazetidin-3-amine
CID 79241377
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The IUPAC name of 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (CID 119920625) is 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is Cc1cc(CN2CCC(C(C)N)CC2)c2ccccc2n1.Cl.Cl.
What is the InChIKey of 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The InChIKey is HGXNWSXMOGPBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.2ClH/c1-13-11-16(17-5-3-4-6-18(17)20-13)12-21-9-7-15(8-10-21)14(2)19;;/h3-6,11,14-15H,7-10,12,19H2,1-2H3;2*1H.
What are the key properties of 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 119920625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).