(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride

C23H27Cl2N3O — CID 119373566

IUPAC(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2cc(C(=O)N3CCC(N)CC3)c3ccccc3n2)c(C)c1.Cl.Cl
InChIInChI=1S/C23H25N3O.2ClH/c1-15-7-8-18(16(2)13-15)22-14-20(19-5-3-4-6-21(19)25-22)23(27)26-11-9-17(24)10-12-26;;/h3-8,13-14,17H,9-12,24H2,1-2H3;2*1H
InChIKeyGIYXISLERVCXHI-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.93
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride (PubChem CID 119373566) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
PubChem CID119373566
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
SMILESCc1ccc(-c2cc(C(=O)N3CCC(N)CC3)c3ccccc3n2)c(C)c1.Cl.Cl
InChIInChI=1S/C23H25N3O.2ClH/c1-15-7-8-18(16(2)13-15)22-14-20(19-5-3-4-6-21(19)25-22)23(27)26-11-9-17(24)10-12-26;;/h3-8,13-14,17H,9-12,24H2,1-2H3;2*1H
InChIKeyGIYXISLERVCXHI-UHFFFAOYSA-N
XLogP4.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950320
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 120804488
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6267807
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride (CID 119373566) is (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride is Cc1ccc(-c2cc(C(=O)N3CCC(N)CC3)c3ccccc3n2)c(C)c1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride?
The InChIKey is GIYXISLERVCXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.2ClH/c1-15-7-8-18(16(2)13-15)22-14-20(19-5-3-4-6-21(19)25-22)23(27)26-11-9-17(24)10-12-26;;/h3-8,13-14,17H,9-12,24H2,1-2H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride has a molecular weight of 432.40 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119373566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).