[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride

C16H21Cl2N3O — CID 119562051

IUPAC[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cccc3cccnc23)CC1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-17-13-7-10-19(11-8-13)16(20)14-6-2-4-12-5-3-9-18-15(12)14;;/h2-6,9,13,17H,7-8,10-11H2,1H3;2*1H
InChIKeyUDFPGUUMKQEURF-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.90
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride (PubChem CID 119562051) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
PubChem CID119562051
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cccc3cccnc23)CC1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-17-13-7-10-19(11-8-13)16(20)14-6-2-4-12-5-3-9-18-15(12)14;;/h2-6,9,13,17H,7-8,10-11H2,1H3;2*1H
InChIKeyUDFPGUUMKQEURF-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
CID 114960494
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride (CID 119562051) is [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride is CNC1CCN(C(=O)c2cccc3cccnc23)CC1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The InChIKey is UDFPGUUMKQEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-17-13-7-10-19(11-8-13)16(20)14-6-2-4-12-5-3-9-18-15(12)14;;/h2-6,9,13,17H,7-8,10-11H2,1H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride is sourced from PubChem (CID 119562051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).