(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride

C15H18Cl3N3O — CID 119374355

IUPAC(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C15H16ClN3O.2ClH/c16-11-3-1-10-2-4-13(18-14(10)9-11)15(20)19-7-5-12(17)6-8-19;;/h1-4,9,12H,5-8,17H2;2*1H
InChIKeyRHGYIOUYKUXIIN-UHFFFAOYSA-N
MW362.69 g/mol
LogP3.30
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride (PubChem CID 119374355) has the molecular formula C15H18Cl3N3O and a molecular weight of 362.69 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride
PubChem CID119374355
Molecular FormulaC15H18Cl3N3O
Molecular Weight362.69 g/mol
Exact Mass361.05
IUPAC Name(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C15H16ClN3O.2ClH/c16-11-3-1-10-2-4-13(18-14(10)9-11)15(20)19-7-5-12(17)6-8-19;;/h1-4,9,12H,5-8,17H2;2*1H
InChIKeyRHGYIOUYKUXIIN-UHFFFAOYSA-N
XLogP3.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(7-chloroquinolin-2-yl)methanone
CID 124611498
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 126774460
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride (CID 119374355) is (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The InChIKey is RHGYIOUYKUXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O.2ClH/c16-11-3-1-10-2-4-13(18-14(10)9-11)15(20)19-7-5-12(17)6-8-19;;/h1-4,9,12H,5-8,17H2;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride has a molecular weight of 362.69 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119374355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).